N-(2-acetylcyclohexyl)methanesulfonamide

C9H17NO3S — CID 59945880

IUPACN-(2-acetylcyclohexyl)methanesulfonamide
SMILESCC(=O)C1CCCCC1NS(C)(=O)=O
InChIInChI=1S/C9H17NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h8-10H,3-6H2,1-2H3
InChIKeySUTORPHJODZRNS-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.68
Rot. Bonds3

About N-(2-acetylcyclohexyl)methanesulfonamide

N-(2-acetylcyclohexyl)methanesulfonamide (PubChem CID 59945880) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-acetylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-acetylcyclohexyl)methanesulfonamide
PubChem CID59945880
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2-acetylcyclohexyl)methanesulfonamide
SMILESCC(=O)C1CCCCC1NS(C)(=O)=O
InChIInChI=1S/C9H17NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h8-10H,3-6H2,1-2H3
InChIKeySUTORPHJODZRNS-UHFFFAOYSA-N
XLogP0.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylcyclohexyl)methanesulfonamide?
The IUPAC name of N-(2-acetylcyclohexyl)methanesulfonamide (CID 59945880) is N-(2-acetylcyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(2-acetylcyclohexyl)methanesulfonamide?
The canonical SMILES for N-(2-acetylcyclohexyl)methanesulfonamide is CC(=O)C1CCCCC1NS(C)(=O)=O.
What is the InChIKey of N-(2-acetylcyclohexyl)methanesulfonamide?
The InChIKey is SUTORPHJODZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h8-10H,3-6H2,1-2H3.
What are the key properties of N-(2-acetylcyclohexyl)methanesulfonamide?
N-(2-acetylcyclohexyl)methanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 59945880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).