1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide

C13H19N3O4S — CID 114612354

IUPAC1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)n(C2CC2)c1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)11-6-12(16(7-11)10-3-4-10)13(17)15-9-2-1-5-20-8-9/h6-7,9-10H,1-5,8H2,(H,15,17)(H2,14,18,19)
InChIKeyKKRUKVWDUOYDAU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.38
Rot. Bonds4

About 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide

1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612354) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612354
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)n(C2CC2)c1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)11-6-12(16(7-11)10-3-4-10)13(17)15-9-2-1-5-20-8-9/h6-7,9-10H,1-5,8H2,(H,15,17)(H2,14,18,19)
InChIKeyKKRUKVWDUOYDAU-UHFFFAOYSA-N
XLogP0.38
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.38
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-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-{[4-(dimethylamino)phenyl]methyl}-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519131
N,N-diethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrrole-2-carboxamide
CID 22552107
1-Methyl-N-[(3-methylphenyl)methyl]-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22576666
N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 24791926
4-(4-Morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid hydrazide
CID 7130994
1-methyl-N-(2-methylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411879

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612354) is 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide is NS(=O)(=O)c1cc(C(=O)NC2CCCOC2)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is KKRUKVWDUOYDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-21(18,19)11-6-12(16(7-11)10-3-4-10)13(17)15-9-2-1-5-20-8-9/h6-7,9-10H,1-5,8H2,(H,15,17)(H2,14,18,19).
What are the key properties of 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).