3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride

C12H20ClN3O3S — CID 119710882

IUPAC3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(13)7-12(16)14-8-10-3-5-11(6-4-10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyJGNQYXUBKLNLGY-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.83
Rot. Bonds6

About 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119710882) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
PubChem CID119710882
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(13)7-12(16)14-8-10-3-5-11(6-4-10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyJGNQYXUBKLNLGY-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
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3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
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4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride (CID 119710882) is 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is JGNQYXUBKLNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-9(13)7-12(16)14-8-10-3-5-11(6-4-10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119710882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).