N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine

C12H25NO2S — CID 64630559

IUPACN-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(10-16(2,14)15)13-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyXBZDWBMYHJAQJO-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine

N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine (PubChem CID 64630559) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
PubChem CID64630559
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(10-16(2,14)15)13-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyXBZDWBMYHJAQJO-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cycloheptylethylamino)propan-1-ol
CID 56854236
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
N-[(1S)-1-cyclopentylethyl]-1-methylsulfonylpropan-2-amine
CID 81385766
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine (CID 64630559) is N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine?
The InChIKey is XBZDWBMYHJAQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(10-16(2,14)15)13-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine?
N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64630559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).