N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C13H28N2O2S — CID 79850328

IUPACN-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCC1CCCC(C(CN)N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-11-5-4-6-12(9-11)13(10-14)15(2)7-8-18(3,16)17/h11-13H,4-10,14H2,1-3H3
InChIKeyNDJMJGHJNJJBGX-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.12
Rot. Bonds6

About N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 79850328) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID79850328
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCC1CCCC(C(CN)N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-11-5-4-6-12(9-11)13(10-14)15(2)7-8-18(3,16)17/h11-13H,4-10,14H2,1-3H3
InChIKeyNDJMJGHJNJJBGX-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine 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-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 79850328) is N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CC1CCCC(C(CN)N(C)CCS(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is NDJMJGHJNJJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11-5-4-6-12(9-11)13(10-14)15(2)7-8-18(3,16)17/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 276.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79850328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).