2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine

C17H27NO2S — CID 75471731

IUPAC2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H27NO2S/c1-14(13-21(2,19)20)18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3
InChIKeyYUFGCFYAJWMEHO-UHFFFAOYSA-N
MW309.47 g/mol
LogP2.81
Rot. Bonds6

About 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine

2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine (PubChem CID 75471731) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine
PubChem CID75471731
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H27NO2S/c1-14(13-21(2,19)20)18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3
InChIKeyYUFGCFYAJWMEHO-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 76332746
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
CID 2915412
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CID 45479967
(+/-)-N-(2-(benzhydrylsulfinyl)ethyl)-3-phenylpropan-1-amine
CID 53324070
(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
CID 73053479
N-(2-(benzhydrylsulfinyl)ethyl)butan-1-amine
CID 76325539
Win 1161-3
CID 113831
3-(Phenethylamino)tetrahydrothiophene 1,1-dioxide
CID 415163
3-(benzylsulfonyl)-N-cyclohexylpropanamide
CID 2226956
N-octyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479968
(S)-N-(2((3-fluorobenzyl)sulfonyl)ethyl)butan-2-amine
CID 73053478
(S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
CID 10086234

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine (CID 75471731) is 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine is CC(CS(C)(=O)=O)NC1CCCCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is YUFGCFYAJWMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-14(13-21(2,19)20)18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3.
What are the key properties of 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine?
2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-methylsulfonylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 75471731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).