(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone

C12H21NO3S — CID 116568267

IUPAC(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H21NO3S/c1-17(15,16)11-4-2-3-9(7-11)12(14)10-5-6-13-8-10/h9-11,13H,2-8H2,1H3
InChIKeyPKQSUICWYMEEKF-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.77
Rot. Bonds3

About (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone

(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568267) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
PubChem CID116568267
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H21NO3S/c1-17(15,16)11-4-2-3-9(7-11)12(14)10-5-6-13-8-10/h9-11,13H,2-8H2,1H3
InChIKeyPKQSUICWYMEEKF-UHFFFAOYSA-N
XLogP0.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
(1,1-dioxothiolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 113289682
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
di(piperidin-3-yl)methanone
CID 69183047
2-methyl-1-(3-methylsulfonylcyclohexyl)-2-piperazin-1-ylpropan-1-one
CID 116599150
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
3-methyl-1-(3-methylsulfonylcyclohexyl)but-2-en-1-one
CID 103455460
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
(4-bromo-2,6-difluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115785925
[5-(aminomethyl)oxolan-2-yl]-(3-methylsulfonylcyclohexyl)methanone
CID 116589106
6-methylsulfonylazepan-4-ol
CID 170622342

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone (CID 116568267) is (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone is CS(=O)(=O)C1CCCC(C(=O)C2CCNC2)C1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone?
The InChIKey is PKQSUICWYMEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-17(15,16)11-4-2-3-9(7-11)12(14)10-5-6-13-8-10/h9-11,13H,2-8H2,1H3.
What are the key properties of (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone?
(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone has a molecular weight of 259.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).