N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine

C16H31NO2S — CID 106830383

IUPACN-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1(C)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-16(10-5-4-6-11-16)15(17-2)13-8-7-9-14(12-13)20(3,18)19/h13-15,17H,4-12H2,1-3H3
InChIKeyLIXXYLBVCFYPIG-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine

N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 106830383) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID106830383
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1(C)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-16(10-5-4-6-11-16)15(17-2)13-8-7-9-14(12-13)20(3,18)19/h13-15,17H,4-12H2,1-3H3
InChIKeyLIXXYLBVCFYPIG-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)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-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine (CID 106830383) is N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(C1CCCC(S(C)(=O)=O)C1)C1(C)CCCCC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is LIXXYLBVCFYPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-16(10-5-4-6-11-16)15(17-2)13-8-7-9-14(12-13)20(3,18)19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine?
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 301.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 106830383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).