3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride

C13H22ClN3O3S — CID 119771237

IUPAC3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(14)7-13(17)16-10(2)11-5-4-6-12(8-11)20(18,19)15-3;/h4-6,8-10,15H,7,14H2,1-3H3,(H,16,17);1H
InChIKeyMRLVBCSMYAVKPB-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.93
Rot. Bonds6

About 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119771237) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119771237
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(14)7-13(17)16-10(2)11-5-4-6-12(8-11)20(18,19)15-3;/h4-6,8-10,15H,7,14H2,1-3H3,(H,16,17);1H
InChIKeyMRLVBCSMYAVKPB-UHFFFAOYSA-N
XLogP0.93
TPSA101.29 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 ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
1-(2-methoxyethyl)-3-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]urea
CID 95186671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (CID 119771237) is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is CNS(=O)(=O)c1cccc(C(C)NC(=O)CC(C)N)c1.Cl.
What is the InChIKey of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is MRLVBCSMYAVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-9(14)7-13(17)16-10(2)11-5-4-6-12(8-11)20(18,19)15-3;/h4-6,8-10,15H,7,14H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119771237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).