2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine

C13H27NO2S — CID 119039306

IUPAC2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
SMILESCC(CCS(C)(=O)=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H27NO2S/c1-10-6-5-7-13(12(10)3)14-11(2)8-9-17(4,15)16/h10-14H,5-9H2,1-4H3
InChIKeyQRJULPNIVJQRNT-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.22
Rot. Bonds5

About 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine

2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine (PubChem CID 119039306) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
PubChem CID119039306
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
SMILESCC(CCS(C)(=O)=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H27NO2S/c1-10-6-5-7-13(12(10)3)14-11(2)8-9-17(4,15)16/h10-14H,5-9H2,1-4H3
InChIKeyQRJULPNIVJQRNT-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
2,3-dimethyl-N-(5-methylhexan-2-yl)cyclopentan-1-amine
CID 64907140
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79548793
N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
CID 43765373
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 43085502
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine (CID 119039306) is 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine is CC(CCS(C)(=O)=O)NC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is QRJULPNIVJQRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10-6-5-7-13(12(10)3)14-11(2)8-9-17(4,15)16/h10-14H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine?
2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 119039306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).