2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride

C7H17ClN2O4S — CID 155943355

IUPAC2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
SMILESCCCNS(=O)(=O)CCC(N)C(=O)O.Cl
InChIInChI=1S/C7H16N2O4S.ClH/c1-2-4-9-14(12,13)5-3-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H
InChIKeyIBOQQLHXKZTFSS-UHFFFAOYSA-N
MW260.74 g/mol
LogP-0.46
Rot. Bonds7

About 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride

2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride (PubChem CID 155943355) has the molecular formula C7H17ClN2O4S and a molecular weight of 260.74 g/mol. Its IUPAC name is 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
PubChem CID155943355
Molecular FormulaC7H17ClN2O4S
Molecular Weight260.74 g/mol
Exact Mass260.06
IUPAC Name2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
SMILESCCCNS(=O)(=O)CCC(N)C(=O)O.Cl
InChIInChI=1S/C7H16N2O4S.ClH/c1-2-4-9-14(12,13)5-3-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H
InChIKeyIBOQQLHXKZTFSS-UHFFFAOYSA-N
XLogP-0.46
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
CID 87289729
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
CID 89124334
2-amino-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 103832741
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
CID 98535121
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride?
The IUPAC name of 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride (CID 155943355) is 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride is CCCNS(=O)(=O)CCC(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride?
The InChIKey is IBOQQLHXKZTFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S.ClH/c1-2-4-9-14(12,13)5-3-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H.
What are the key properties of 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride?
2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride is sourced from PubChem (CID 155943355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).