N-butyl-1-cyclohexylmethanesulfonamide

C11H23NO2S — CID 91351204

IUPACN-butyl-1-cyclohexylmethanesulfonamide
SMILESCCCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-12-15(13,14)10-11-7-5-4-6-8-11/h11-12H,2-10H2,1H3
InChIKeySJVJQVWVQTZNEE-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.29
Rot. Bonds6

About N-butyl-1-cyclohexylmethanesulfonamide

N-butyl-1-cyclohexylmethanesulfonamide (PubChem CID 91351204) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-butyl-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexylmethanesulfonamide
PubChem CID91351204
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-butyl-1-cyclohexylmethanesulfonamide
SMILESCCCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-12-15(13,14)10-11-7-5-4-6-8-11/h11-12H,2-10H2,1H3
InChIKeySJVJQVWVQTZNEE-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-cyclohexylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-butyl-1-cyclohexylmethanesulfonamide (CID 91351204) is N-butyl-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-butyl-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-butyl-1-cyclohexylmethanesulfonamide is CCCCNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-butyl-1-cyclohexylmethanesulfonamide?
The InChIKey is SJVJQVWVQTZNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-9-12-15(13,14)10-11-7-5-4-6-8-11/h11-12H,2-10H2,1H3.
What are the key properties of N-butyl-1-cyclohexylmethanesulfonamide?
N-butyl-1-cyclohexylmethanesulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 91351204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).