N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C15H29NO2S — CID 64717552

IUPACN-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C15H29NO2S/c1-3-16-13-7-5-9-15(11-13)19(17,18)14-8-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyVDANHIJYZHEDND-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.90
Rot. Bonds4

About N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 64717552) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID64717552
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C15H29NO2S/c1-3-16-13-7-5-9-15(11-13)19(17,18)14-8-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyVDANHIJYZHEDND-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-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

Related Compounds

3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
CID 162106745
N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
CID 64716936
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 64717552) is N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1.
What is the InChIKey of N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is VDANHIJYZHEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-3-16-13-7-5-9-15(11-13)19(17,18)14-8-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64717552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).