N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide

C12H20N4O3S — CID 62541291

IUPACN,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCC2CCCN2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-13-12(17)11-6-10(8-16(11)2)20(18,19)15-7-9-4-3-5-14-9/h6,8-9,14-15H,3-5,7H2,1-2H3,(H,13,17)
InChIKeyPKMFRDVGSFKSLO-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.58
Rot. Bonds5

About N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide

N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 62541291) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
PubChem CID62541291
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCC2CCCN2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-13-12(17)11-6-10(8-16(11)2)20(18,19)15-7-9-4-3-5-14-9/h6,8-9,14-15H,3-5,7H2,1-2H3,(H,13,17)
InChIKeyPKMFRDVGSFKSLO-UHFFFAOYSA-N
XLogP-0.58
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510648
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65188824
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126821603
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide (CID 62541291) is N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)NCC2CCCN2)cn1C.
What is the InChIKey of N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is PKMFRDVGSFKSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-13-12(17)11-6-10(8-16(11)2)20(18,19)15-7-9-4-3-5-14-9/h6,8-9,14-15H,3-5,7H2,1-2H3,(H,13,17).
What are the key properties of N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide?
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62541291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).