(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide

C15H24N2O3S — CID 103831127

IUPAC(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-14(16)15(18)17-11(2)12-7-9-13(10-8-12)21(3,19)20/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyFGGGZAWRISNKFE-IAXJKZSUSA-N
MW312.44 g/mol
LogP1.78
Rot. Bonds7

About (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide

(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide (PubChem CID 103831127) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
PubChem CID103831127
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-14(16)15(18)17-11(2)12-7-9-13(10-8-12)21(3,19)20/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyFGGGZAWRISNKFE-IAXJKZSUSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
3-amino-4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896729
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide (CID 103831127) is (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide is CCCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The InChIKey is FGGGZAWRISNKFE-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-6-14(16)15(18)17-11(2)12-7-9-13(10-8-12)21(3,19)20/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide has a molecular weight of 312.44 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide is sourced from PubChem (CID 103831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).