1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide

C15H23N3O4S — CID 135093627

IUPAC1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(20,21)10-11-8-22-9-13(11)16-15(19)14-4-3-7-18(14)12-5-6-12/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13+/m0/s1
InChIKeyZQSHGEAZBQCFRF-WCQYABFASA-N
MW341.43 g/mol
LogP0.46
Rot. Bonds6

About 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide (PubChem CID 135093627) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
PubChem CID135093627
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(20,21)10-11-8-22-9-13(11)16-15(19)14-4-3-7-18(14)12-5-6-12/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13+/m0/s1
InChIKeyZQSHGEAZBQCFRF-WCQYABFASA-N
XLogP0.46
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide (CID 135093627) is 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide?
The InChIKey is ZQSHGEAZBQCFRF-WCQYABFASA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17(2)23(20,21)10-11-8-22-9-13(11)16-15(19)14-4-3-7-18(14)12-5-6-12/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13+/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 135093627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).