1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one

C12H21NOS — CID 121011211

IUPAC1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one
SMILESCC(SC1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H21NOS/c1-10(13-9-5-8-12(13)14)15-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3
InChIKeyKMDKFRQPXLSYHM-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.02
Rot. Bonds3

About 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one

1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one (PubChem CID 121011211) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one
PubChem CID121011211
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one
SMILESCC(SC1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H21NOS/c1-10(13-9-5-8-12(13)14)15-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3
InChIKeyKMDKFRQPXLSYHM-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one (CID 121011211) is 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one is CC(SC1CCCCC1)N1CCCC1=O.
What is the InChIKey of 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one?
The InChIKey is KMDKFRQPXLSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(13-9-5-8-12(13)14)15-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one?
1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one has a molecular weight of 227.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylsulfanylethyl)pyrrolidin-2-one is sourced from PubChem (CID 121011211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).