N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide

C20H34N2O2S — CID 59537766

IUPACN-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide
SMILESCC(C)c1cccc(C(C)C)c1CCS(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C20H34N2O2S/c1-14(2)16-8-7-9-17(15(3)4)18(16)12-13-25(23,24)22-20-11-6-5-10-19(20)21/h7-9,14-15,19-20,22H,5-6,10-13,21H2,1-4H3
InChIKeyJAMQZEPWOWDIPU-UHFFFAOYSA-N
MW366.57 g/mol
LogP3.67
Rot. Bonds7

About N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide

N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide (PubChem CID 59537766) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide
PubChem CID59537766
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC NameN-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide
SMILESCC(C)c1cccc(C(C)C)c1CCS(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C20H34N2O2S/c1-14(2)16-8-7-9-17(15(3)4)18(16)12-13-25(23,24)22-20-11-6-5-10-19(20)21/h7-9,14-15,19-20,22H,5-6,10-13,21H2,1-4H3
InChIKeyJAMQZEPWOWDIPU-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide
CID 70841705
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
CID 59537550
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide (CID 59537766) is N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide is CC(C)c1cccc(C(C)C)c1CCS(=O)(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide?
The InChIKey is JAMQZEPWOWDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-14(2)16-8-7-9-17(15(3)4)18(16)12-13-25(23,24)22-20-11-6-5-10-19(20)21/h7-9,14-15,19-20,22H,5-6,10-13,21H2,1-4H3.
What are the key properties of N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide?
N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide has a molecular weight of 366.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 59537766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).