(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide

C12H19N3O3S — CID 107143839

IUPAC(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-2-3-7-11(13)12(16)15-9-5-4-6-10(8-9)19(14,17)18/h4-6,8,11H,2-3,7,13H2,1H3,(H,15,16)(H2,14,17,18)/t11-/m0/s1
InChIKeyUYFYTHMWRBIISN-NSHDSACASA-N
MW285.37 g/mol
LogP0.79
Rot. Bonds6

About (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide

(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide (PubChem CID 107143839) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
PubChem CID107143839
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-2-3-7-11(13)12(16)15-9-5-4-6-10(8-9)19(14,17)18/h4-6,8,11H,2-3,7,13H2,1H3,(H,15,16)(H2,14,17,18)/t11-/m0/s1
InChIKeyUYFYTHMWRBIISN-NSHDSACASA-N
XLogP0.79
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
CID 104906786
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
CID 119315948
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
2-amino-N-(3-ethynylphenyl)hexanamide
CID 60852206
ethyl 2-hexadecoxy-3-oxo-3-(3-sulfamoylanilino)propanoate
CID 19816688
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
4-amino-5-(3-methylsulfonylanilino)-5-oxopentanoic acid
CID 64888717
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide (CID 107143839) is (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide?
The InChIKey is UYFYTHMWRBIISN-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-3-7-11(13)12(16)15-9-5-4-6-10(8-9)19(14,17)18/h4-6,8,11H,2-3,7,13H2,1H3,(H,15,16)(H2,14,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide?
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide has a molecular weight of 285.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide is sourced from PubChem (CID 107143839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).