N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C11H17N3O4S — CID 65386323

IUPACN-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCC2CCCOC2)c1
InChIInChI=1S/C11H17N3O4S/c12-19(16,17)9-4-10(13-6-9)11(15)14-5-8-2-1-3-18-7-8/h4,6,8,13H,1-3,5,7H2,(H,14,15)(H2,12,16,17)
InChIKeyIFLUBDYIAAJKCN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.18
Rot. Bonds4

About N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65386323) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65386323
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCC2CCCOC2)c1
InChIInChI=1S/C11H17N3O4S/c12-19(16,17)9-4-10(13-6-9)11(15)14-5-8-2-1-3-18-7-8/h4,6,8,13H,1-3,5,7H2,(H,14,15)(H2,12,16,17)
InChIKeyIFLUBDYIAAJKCN-UHFFFAOYSA-N
XLogP-0.18
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65386323) is N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1c[nH]c(C(=O)NCC2CCCOC2)c1.
What is the InChIKey of N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is IFLUBDYIAAJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c12-19(16,17)9-4-10(13-6-9)11(15)14-5-8-2-1-3-18-7-8/h4,6,8,13H,1-3,5,7H2,(H,14,15)(H2,12,16,17).
What are the key properties of N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).