[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H22N2O3S — CID 168680112

IUPAC[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC1CCCCC1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H22N2O3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3,(H2,13,16,17)
InChIKeyUHNLJRPMRPSBQY-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.70
Rot. Bonds3

About [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680112) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680112
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC1CCCCC1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H22N2O3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3,(H2,13,16,17)
InChIKeyUHNLJRPMRPSBQY-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674616
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
S-[[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665787
tert-butyl 3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168680158
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
CID 61470304
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716348
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168681810
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680112) is [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CC1CCCCC1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UHNLJRPMRPSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3,(H2,13,16,17).
What are the key properties of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).