4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C13H22N4O3S — CID 106608029

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H22N4O3S/c1-3-17(8-10-5-4-6-15-10)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)
InChIKeyVMFBSPGSPVLZOR-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.11
Rot. Bonds6

About 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 106608029) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID106608029
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C13H22N4O3S/c1-3-17(8-10-5-4-6-15-10)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)
InChIKeyVMFBSPGSPVLZOR-UHFFFAOYSA-N
XLogP-0.11
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
Ethyl 4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine-1-carboxylate
CID 3242023
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16017823
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 22518956
N-(4-Fluoro-2-methylphenyl)-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519015
N-{[4-(Dimethylamino)phenyl]methyl}-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519030
N-tert-butyl-4-indolin-1-ylsulfonyl-1-methyl-pyrrole-2-carboxamide
CID 22519145
N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
CID 22519152
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 22519193
N,N-diethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrrole-2-carboxamide
CID 22552107

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 106608029) is 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is CCN(CC1CCCN1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is VMFBSPGSPVLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-17(8-10-5-4-6-15-10)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).
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).