N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine

C17H27NO2S — CID 115889867

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO2S/c1-3-21(19,20)13-14(2)18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyCNCLVVXAPNYHBA-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.13
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine

N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine (PubChem CID 115889867) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
PubChem CID115889867
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO2S/c1-3-21(19,20)13-14(2)18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyCNCLVVXAPNYHBA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
CID 115723560
N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805
N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
CID 114122601
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
N-(1-ethylsulfonylpropan-2-yl)thian-4-amine
CID 115626125
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 43081859
cyclopropylbenzene;ethylhydrazine
CID 22346635

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine (CID 115889867) is N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine is CCS(=O)(=O)CC(C)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine?
The InChIKey is CNCLVVXAPNYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-21(19,20)13-14(2)18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 115889867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).