N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine

C12H25NO2S — CID 81032241

IUPACN-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCS(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10-4-5-12(9-13-2)11(8-10)6-7-16(3,14)15/h10-13H,4-9H2,1-3H3
InChIKeyHLKSOWJXMDKCCB-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.69
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine (PubChem CID 81032241) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
PubChem CID81032241
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCS(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-10-4-5-12(9-13-2)11(8-10)6-7-16(3,14)15/h10-13H,4-9H2,1-3H3
InChIKeyHLKSOWJXMDKCCB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine 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-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine (CID 81032241) is N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine is CNCC1CCC(C)CC1CCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine?
The InChIKey is HLKSOWJXMDKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10-4-5-12(9-13-2)11(8-10)6-7-16(3,14)15/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine has a molecular weight of 247.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 81032241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).