N-[(2-oxocyclohexyl)methyl]methanesulfonamide

C8H15NO3S — CID 134896116

IUPACN-[(2-oxocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCC1=O
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h7,9H,2-6H2,1H3
InChIKeyWVWQOGPVTFNNKO-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.29
Rot. Bonds3

About N-[(2-oxocyclohexyl)methyl]methanesulfonamide

N-[(2-oxocyclohexyl)methyl]methanesulfonamide (PubChem CID 134896116) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(2-oxocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxocyclohexyl)methyl]methanesulfonamide
PubChem CID134896116
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-[(2-oxocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCC1=O
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h7,9H,2-6H2,1H3
InChIKeyWVWQOGPVTFNNKO-UHFFFAOYSA-N
XLogP0.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-oxocyclohexyl)methyl]methanesulfonamide 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

N-[2-[4-oxocyclohexyl]propyl] 2-propanesulfonamide
CID 15489190
N-[2-[4-oxocyclohexyl]ethyl] 2-propanesulfonamide
CID 22624691
N-methylsulfonylcyclohexanecarboxamide
CID 47232701
N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide
CID 58562881
N-(4-acetylcyclohexyl)methanesulfonamide
CID 58664350
N-[(3R)-1-cyclohexyl-4-oxopentan-3-yl]methanesulfonamide
CID 59013296
N-(2-acetylcyclopentyl)methanesulfonamide
CID 59945873
N-(2-acetylcyclohexyl)methanesulfonamide
CID 59945880
N-(1-cyclohexyl-2-oxopropyl)methanesulfonamide
CID 59945947
N-[3-(4-oxocyclohexyl)propyl]methanesulfonamide
CID 68003452
N-[(3R)-1-cyclohexyl-4-oxopentan-3-yl]methanesulfonamide;hydrate
CID 158790924
4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide
CID 103287417

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-oxocyclohexyl)methyl]methanesulfonamide (CID 134896116) is N-[(2-oxocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-oxocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-oxocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCC1=O.
What is the InChIKey of N-[(2-oxocyclohexyl)methyl]methanesulfonamide?
The InChIKey is WVWQOGPVTFNNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h7,9H,2-6H2,1H3.
What are the key properties of N-[(2-oxocyclohexyl)methyl]methanesulfonamide?
N-[(2-oxocyclohexyl)methyl]methanesulfonamide has a molecular weight of 205.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 134896116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).