N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride

C12H22ClN3O3S2 — CID 119588415

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C12H21N3O3S2.ClH/c1-8(2)4-9(6-13)15-12(16)11-5-10(7-19-11)20(17,18)14-3;/h5,7-9,14H,4,6,13H2,1-3H3,(H,15,16);1H
InChIKeyZDXWLAHRAHVRFA-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.18
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119588415) has the molecular formula C12H22ClN3O3S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119588415
Molecular FormulaC12H22ClN3O3S2
Molecular Weight355.91 g/mol
Exact Mass355.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C12H21N3O3S2.ClH/c1-8(2)4-9(6-13)15-12(16)11-5-10(7-19-11)20(17,18)14-3;/h5,7-9,14H,4,6,13H2,1-3H3,(H,15,16);1H
InChIKeyZDXWLAHRAHVRFA-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119668329
N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
N-(2-amino-2-methylpropyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 119630138
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119585798
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
N-(1-amino-4-methylpentan-2-yl)-5-nitrothiophene-3-carboxamide;hydrochloride
CID 119587651
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride (CID 119588415) is N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride is CNS(=O)(=O)c1csc(C(=O)NC(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZDXWLAHRAHVRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2.ClH/c1-8(2)4-9(6-13)15-12(16)11-5-10(7-19-11)20(17,18)14-3;/h5,7-9,14H,4,6,13H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119588415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).