N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide

C12H25NO2S — CID 59148064

IUPACN-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide
SMILESCC(C)(C)CC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)9-10-5-7-11(8-6-10)13-16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyXXJCACGWOZHCDP-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.53
Rot. Bonds3

About N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide

N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide (PubChem CID 59148064) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide
PubChem CID59148064
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide
SMILESCC(C)(C)CC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)9-10-5-7-11(8-6-10)13-16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyXXJCACGWOZHCDP-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide 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-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide (CID 59148064) is N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide is CC(C)(C)CC1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide?
The InChIKey is XXJCACGWOZHCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,3)9-10-5-7-11(8-6-10)13-16(4,14)15/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide?
N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 59148064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).