(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride

C15H26ClN3O3S — CID 119723677

IUPAC(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-15(2,3)13(16)14(19)17-9-10-22(20,21)18-11-12-7-5-4-6-8-12;/h4-8,13,18H,9-11,16H2,1-3H3,(H,17,19);1H/t13-;/m1./s1
InChIKeyJEIURSIDIUZPLN-BTQNPOSSSA-N
MW363.91 g/mol
LogP1.02
Rot. Bonds7

About (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119723677) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119723677
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC Name(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-15(2,3)13(16)14(19)17-9-10-22(20,21)18-11-12-7-5-4-6-8-12;/h4-8,13,18H,9-11,16H2,1-3H3,(H,17,19);1H/t13-;/m1./s1
InChIKeyJEIURSIDIUZPLN-BTQNPOSSSA-N
XLogP1.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide
CID 119723704
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
(2S)-2-amino-3,3-dimethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119808562
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134753
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride (CID 119723677) is (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is JEIURSIDIUZPLN-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-15(2,3)13(16)14(19)17-9-10-22(20,21)18-11-12-7-5-4-6-8-12;/h4-8,13,18H,9-11,16H2,1-3H3,(H,17,19);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119723677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).