1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine

C13H17NS — CID 134854011

IUPAC1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine
SMILESCS/C(=C\N1CCCC1)c1ccccc1
InChIInChI=1S/C13H17NS/c1-15-13(11-14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11-
InChIKeyJQOFXHLAOPCFKQ-QBFSEMIESA-N
MW219.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine

1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine (PubChem CID 134854011) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine
PubChem CID134854011
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine
SMILESCS/C(=C\N1CCCC1)c1ccccc1
InChIInChI=1S/C13H17NS/c1-15-13(11-14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11-
InChIKeyJQOFXHLAOPCFKQ-QBFSEMIESA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1Z,4Z)-1-methylsulfanyl-1,5-diphenyl-5-sulfanylpenta-1,4-dien-3-one
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(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
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2-methylsulfanyl-1-phenylethanone;2-methylsulfanyl-1-piperidin-1-ylethanone
CID 162075067
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
CID 134873668
CID 134873668
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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine?
The IUPAC name of 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine (CID 134854011) is 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine is CS/C(=C\N1CCCC1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine?
The InChIKey is JQOFXHLAOPCFKQ-QBFSEMIESA-N. The full InChI is InChI=1S/C13H17NS/c1-15-13(11-14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11-.
What are the key properties of 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine?
1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine is sourced from PubChem (CID 134854011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).