N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine

C12H25NO2S — CID 75483309

IUPACN-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
SMILESCC(C)(CCS(C)(=O)=O)NC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-12(2,9-10-16(3,14)15)13-11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3
InChIKeyOWQLPOGVTHRBRV-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds5

About N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine

N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine (PubChem CID 75483309) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
PubChem CID75483309
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
SMILESCC(C)(CCS(C)(=O)=O)NC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-12(2,9-10-16(3,14)15)13-11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3
InChIKeyOWQLPOGVTHRBRV-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine 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-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine?
The IUPAC name of N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine (CID 75483309) is N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine is CC(C)(CCS(C)(=O)=O)NC1CCCCC1.
What is the InChIKey of N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine?
The InChIKey is OWQLPOGVTHRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,9-10-16(3,14)15)13-11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine?
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine is sourced from PubChem (CID 75483309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).