[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine

C15H31NO2S — CID 107767179

IUPAC[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)CC(C)CC)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-13-7-8-14(10-16)15(9-13)19(17,18)11-12(3)5-2/h12-15H,4-11,16H2,1-3H3
InChIKeyPEGSEFHMHIKQED-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.99
Rot. Bonds7

About [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine

[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine (PubChem CID 107767179) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
PubChem CID107767179
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)CC(C)CC)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-13-7-8-14(10-16)15(9-13)19(17,18)11-12(3)5-2/h12-15H,4-11,16H2,1-3H3
InChIKeyPEGSEFHMHIKQED-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine 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

(4-Methanesulfonylcyclohexyl)methanamine hydrochloride
CID 132327778
(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
3-Fluoro-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 104277205
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152704
2-[Fluoro-(3-methylsulfonylcyclohexyl)methyl]-3-methylbutan-1-amine
CID 107443841
2-Fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
CID 112562650
2-Fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 112565115
2-Fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 112565994
2-Fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 112566835
2-Fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 112567775
(4-Methyl-4-methylsulfonylcyclohexyl)methanamine
CID 21048974

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine (CID 107767179) is [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)(=O)CC(C)CC)C1.
What is the InChIKey of [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The InChIKey is PEGSEFHMHIKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-6-13-7-8-14(10-16)15(9-13)19(17,18)11-12(3)5-2/h12-15H,4-11,16H2,1-3H3.
What are the key properties of [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine has a molecular weight of 289.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 107767179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).