N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide

C14H22N2O2S — CID 50941630

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H22N2O2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11,15H2/t13-,14-/m1/s1
InChIKeyPPUFKGOUHMBSLT-ZIAGYGMSSA-N
MW282.41 g/mol
LogP1.42
Rot. Bonds5

About N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide (PubChem CID 50941630) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide
PubChem CID50941630
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H22N2O2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11,15H2/t13-,14-/m1/s1
InChIKeyPPUFKGOUHMBSLT-ZIAGYGMSSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Phenethylmethanesulfonamide
CID 118569
N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 807610
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
N-(1-methyl-3-phenylpropyl)benzenesulfonamide
CID 2914449
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
N-(3-phenylpropyl)methanesulfonamide
CID 1744854
N-(3-phenylpropyl)benzenesulfonamide
CID 3600699
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
CID 2915412

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide (CID 50941630) is N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide?
The InChIKey is PPUFKGOUHMBSLT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11,15H2/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 50941630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).