(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride

C10H18ClN3O3S2 — CID 119270466

IUPAC(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)s1.Cl
InChIInChI=1S/C10H17N3O3S2.ClH/c1-6(2)9(11)10(14)13-5-7-3-4-8(17-7)18(12,15)16;/h3-4,6,9H,5,11H2,1-2H3,(H,13,14)(H2,12,15,16);1H/t9-;/m0./s1
InChIKeyDFYRLGIUBYHKCP-FVGYRXGTSA-N
MW327.86 g/mol
LogP0.42
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride

(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride (PubChem CID 119270466) has the molecular formula C10H18ClN3O3S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
PubChem CID119270466
Molecular FormulaC10H18ClN3O3S2
Molecular Weight327.86 g/mol
Exact Mass327.05
IUPAC Name(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)s1.Cl
InChIInChI=1S/C10H17N3O3S2.ClH/c1-6(2)9(11)10(14)13-5-7-3-4-8(17-7)18(12,15)16;/h3-4,6,9H,5,11H2,1-2H3,(H,13,14)(H2,12,15,16);1H/t9-;/m0./s1
InChIKeyDFYRLGIUBYHKCP-FVGYRXGTSA-N
XLogP0.42
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;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

2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 41248093
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55938069
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
2-methyl-1-propan-2-yl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111124758
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64723560
2,2-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103837282
2-methyl-1-(3-methylbutyl)-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 110978327
4-acetyl-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazine-1-carboximidamide
CID 119115897
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride (CID 119270466) is (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride is CC(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)s1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is DFYRLGIUBYHKCP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H17N3O3S2.ClH/c1-6(2)9(11)10(14)13-5-7-3-4-8(17-7)18(12,15)16;/h3-4,6,9H,5,11H2,1-2H3,(H,13,14)(H2,12,15,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119270466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).