(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide

C14H23N3O3S — CID 107143973

IUPAC(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-13(15)14(18)16-11-7-9-12(10-8-11)21(19,20)17(2)3/h7-10,13H,4-6,15H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyOLFOBOXPRGQSJO-ZDUSSCGKSA-N
MW313.42 g/mol
LogP1.39
Rot. Bonds7

About (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide

(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide (PubChem CID 107143973) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
PubChem CID107143973
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-13(15)14(18)16-11-7-9-12(10-8-11)21(19,20)17(2)3/h7-10,13H,4-6,15H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyOLFOBOXPRGQSJO-ZDUSSCGKSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide (CID 107143973) is (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide?
The InChIKey is OLFOBOXPRGQSJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-5-6-13(15)14(18)16-11-7-9-12(10-8-11)21(19,20)17(2)3/h7-10,13H,4-6,15H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide?
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide has a molecular weight of 313.42 g/mol, XLogP of 1.39, 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-[4-(dimethylsulfamoyl)phenyl]hexanamide is sourced from PubChem (CID 107143973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).