3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one

C11H19NOS — CID 71930985

IUPAC3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(SC2CCCCC2)C1=O
InChIInChI=1S/C11H19NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyPRWLYDLXCDSJGF-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds2

About 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one

3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one (PubChem CID 71930985) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one
PubChem CID71930985
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(SC2CCCCC2)C1=O
InChIInChI=1S/C11H19NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyPRWLYDLXCDSJGF-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one?
The IUPAC name of 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one (CID 71930985) is 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one is CN1CCC(SC2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one?
The InChIKey is PRWLYDLXCDSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one?
3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one has a molecular weight of 213.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71930985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).