Summary

IMPPAT Phytochemical identifier: IMPHY015307

Phytochemical name: Pyrrolidine-5-thione, 3,3-dimethyl-2-[5-(methylthio)-3,4-dihydro-2,3,3-trimethyl-2(2H)pyrrolyl]methylene-

Synonymous chemical names:
3,3-dimethyl-2-[5-(methylthio )-3,4-dihydro-2,3,3-trimethyl-2(2h)pyrrolyl]methylene- pyrrolidine-5-thione

External chemical identifiers:
CID:5376501

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Chemical structure information

SMILES:
CSC1=NC(C(C1)(C)C)(C)/C=C/1NC(=S)CC1(C)C

InChI:
InChI=1S/C15H24N2S2/c1-13(2)8-11(18)16-10(13)7-15(5)14(3,4)9-12(17-15)19-6/h7H,8-9H2,1-6H3,(H,16,18)/b10-7-

InChIKey:
DEVKRQMTMRYYMJ-YFHOEESVSA-N

DeepSMILES:
CSC=NCCC5)C)C))C)/C=CNC=S)CC5C)C

Functional groups:
C/C=C1/CCC(=S)N1, CN=C(C)SC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=C1CCC(=CC2CCC=N2)N1

Scaffold Graph/Node level:
SC1CCC(CC2CCCN2)N1

Scaffold Graph level:
CC1CCC(CC2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Imidothioesters

ClassyFire Subclass: Imidothiolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.23

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Chemical structure download