1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride

C13H23ClN4O3S — CID 126766175

IUPAC1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-3-6-17(10-4-5-15-8-10)21(19,20)11-7-12(13(14)18)16(2)9-11;/h7,9-10,15H,3-6,8H2,1-2H3,(H2,14,18);1H
InChIKeyIYTPPDKHZOHSMH-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.31
Rot. Bonds6

About 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride

1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 126766175) has the molecular formula C13H23ClN4O3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID126766175
Molecular FormulaC13H23ClN4O3S
Molecular Weight350.87 g/mol
Exact Mass350.12
IUPAC Name1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-3-6-17(10-4-5-15-8-10)21(19,20)11-7-12(13(14)18)16(2)9-11;/h7,9-10,15H,3-6,8H2,1-2H3,(H2,14,18);1H
InChIKeyIYTPPDKHZOHSMH-UHFFFAOYSA-N
XLogP0.31
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride (CID 126766175) is 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.Cl.
What is the InChIKey of 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is IYTPPDKHZOHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S.ClH/c1-3-6-17(10-4-5-15-8-10)21(19,20)11-7-12(13(14)18)16(2)9-11;/h7,9-10,15H,3-6,8H2,1-2H3,(H2,14,18);1H.
What are the key properties of 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride?
1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 126766175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).