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

C13H19N3O4S — CID 114612454

IUPAC1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C13H19N3O4S/c1-8-11(4-5-20-8)15-13(17)12-6-10(21(14,18)19)7-16(12)9-2-3-9/h6-9,11H,2-5H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyOQYJJNVPJNWWFV-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.38
Rot. Bonds4

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

1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612454) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612454
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C13H19N3O4S/c1-8-11(4-5-20-8)15-13(17)12-6-10(21(14,18)19)7-16(12)9-2-3-9/h6-9,11H,2-5H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyOQYJJNVPJNWWFV-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-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611999
1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612354
1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612010
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940
N-(2-cyclopropyloxolan-3-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103865048
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612607
methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612610
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612454) is 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide is CC1OCCC1NC(=O)c1cc(S(N)(=O)=O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is OQYJJNVPJNWWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-11(4-5-20-8)15-13(17)12-6-10(21(14,18)19)7-16(12)9-2-3-9/h6-9,11H,2-5H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide?
1-cyclopropyl-N-(2-methyloxolan-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-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).