1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride

C9H17ClN4O3S — CID 119973057

IUPAC1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C9H16N4O3S.ClH/c1-11-3-4-12-17(15,16)7-5-8(9(10)14)13(2)6-7;/h5-6,11-12H,3-4H2,1-2H3,(H2,10,14);1H
InChIKeyFHHFNKYZKPEUOX-UHFFFAOYSA-N
MW296.78 g/mol
LogP-0.96
Rot. Bonds6

About 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride

1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 119973057) has the molecular formula C9H17ClN4O3S and a molecular weight of 296.78 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID119973057
Molecular FormulaC9H17ClN4O3S
Molecular Weight296.78 g/mol
Exact Mass296.07
IUPAC Name1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C9H16N4O3S.ClH/c1-11-3-4-12-17(15,16)7-5-8(9(10)14)13(2)6-7;/h5-6,11-12H,3-4H2,1-2H3,(H2,10,14);1H
InChIKeyFHHFNKYZKPEUOX-UHFFFAOYSA-N
XLogP-0.96
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
5-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682888
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119981288
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride (CID 119973057) is 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride is CNCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl.
What is the InChIKey of 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is FHHFNKYZKPEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S.ClH/c1-11-3-4-12-17(15,16)7-5-8(9(10)14)13(2)6-7;/h5-6,11-12H,3-4H2,1-2H3,(H2,10,14);1H.
What are the key properties of 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride?
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119973057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).