3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine

C13H27NO2S — CID 79552187

IUPAC3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(C)(C)S(C)(=O)=O)CC1C
InChIInChI=1S/C13H27NO2S/c1-10-6-7-12(8-11(10)2)14-9-13(3,4)17(5,15)16/h10-12,14H,6-9H2,1-5H3
InChIKeyDLBUMCNQYDOXSL-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.22
Rot. Bonds4

About 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine

3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 79552187) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
PubChem CID79552187
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(C)(C)S(C)(=O)=O)CC1C
InChIInChI=1S/C13H27NO2S/c1-10-6-7-12(8-11(10)2)14-9-13(3,4)17(5,15)16/h10-12,14H,6-9H2,1-5H3
InChIKeyDLBUMCNQYDOXSL-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine 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 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine (CID 79552187) is 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine is CC1CCC(NCC(C)(C)S(C)(=O)=O)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is DLBUMCNQYDOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10-6-7-12(8-11(10)2)14-9-13(3,4)17(5,15)16/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine?
3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 79552187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).