N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide

C17H28N2O3S — CID 59316910

IUPACN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
SMILESNCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2
InChIKeyLPFZNFRPKLORFG-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.78
Rot. Bonds8

About N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide

N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide (PubChem CID 59316910) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
PubChem CID59316910
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
SMILESNCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2
InChIKeyLPFZNFRPKLORFG-UHFFFAOYSA-N
XLogP2.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-(2-cyclohexylethylsulfanylamino)phenyl]propan-1-ol
CID 143981682
[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
CID 67296705
3-amino-1-[3-(cyclohexylmethylsulfinyl)phenyl]propan-1-ol
CID 91165230
1-[4-hydroxy-4-[3-(sulfamoylamino)phenyl]butyl]azepane
CID 70411804
3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 59316963
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[4-hydroxy-4-[3-(sulfamoylamino)phenyl]butyl]azepane;methane
CID 70411803
4-(2-cyclopentylethylsulfonylamino)-2,6-difluorobenzoic acid
CID 167767632
[3-(3-amino-1-hydroxypropyl)phenyl]sulfanyl-cyclohexylmethanediol
CID 90903545
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The IUPAC name of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide (CID 59316910) is N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide.
What is the SMILES notation for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The canonical SMILES for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide is NCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1.
What is the InChIKey of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The InChIKey is LPFZNFRPKLORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2.
What are the key properties of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide is sourced from PubChem (CID 59316910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).