4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride

C12H23ClN4O3S — CID 119981288

IUPAC4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/c1-4-12(5-2,8-13)15-20(18,19)9-6-10(11(14)17)16(3)7-9;/h6-7,15H,4-5,8,13H2,1-3H3,(H2,14,17);1H
InChIKeyBFTXTCACRWXQPH-UHFFFAOYSA-N
MW338.86 g/mol
LogP0.34
Rot. Bonds7

About 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride

4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119981288) has the molecular formula C12H23ClN4O3S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119981288
Molecular FormulaC12H23ClN4O3S
Molecular Weight338.86 g/mol
Exact Mass338.12
IUPAC Name4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/c1-4-12(5-2,8-13)15-20(18,19)9-6-10(11(14)17)16(3)7-9;/h6-7,15H,4-5,8,13H2,1-3H3,(H2,14,17);1H
InChIKeyBFTXTCACRWXQPH-UHFFFAOYSA-N
XLogP0.34
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
CID 63888193
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119981288) is 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl.
What is the InChIKey of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is BFTXTCACRWXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S.ClH/c1-4-12(5-2,8-13)15-20(18,19)9-6-10(11(14)17)16(3)7-9;/h6-7,15H,4-5,8,13H2,1-3H3,(H2,14,17);1H.
What are the key properties of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119981288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).