2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride

C13H22ClN3O3S — CID 119731398

IUPAC2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-7-13(2,14)12(17)16-9-10-5-4-6-11(8-10)20(15,18)19;/h4-6,8H,3,7,9,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H
InChIKeyWMNQJBKQRJNQKP-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119731398) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119731398
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-7-13(2,14)12(17)16-9-10-5-4-6-11(8-10)20(15,18)19;/h4-6,8H,3,7,9,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H
InChIKeyWMNQJBKQRJNQKP-UHFFFAOYSA-N
XLogP0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 63680751
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride (CID 119731398) is 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCc1cccc(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is WMNQJBKQRJNQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-3-7-13(2,14)12(17)16-9-10-5-4-6-11(8-10)20(15,18)19;/h4-6,8H,3,7,9,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H.
What are the key properties of 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119731398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).