N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide

C8H17N3O3S — CID 63005496

IUPACN-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c9-15(13,14)5-1-3-11-8(12)7-2-4-10-6-7/h7,10H,1-6H2,(H,11,12)(H2,9,13,14)
InChIKeyWJEKVZTVZLPVEY-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.61
Rot. Bonds5

About N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide

N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63005496) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
PubChem CID63005496
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c9-15(13,14)5-1-3-11-8(12)7-2-4-10-6-7/h7,10H,1-6H2,(H,11,12)(H2,9,13,14)
InChIKeyWJEKVZTVZLPVEY-UHFFFAOYSA-N
XLogP-1.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (CID 63005496) is N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is NS(=O)(=O)CCCNC(=O)C1CCNC1.
What is the InChIKey of N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is WJEKVZTVZLPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c9-15(13,14)5-1-3-11-8(12)7-2-4-10-6-7/h7,10H,1-6H2,(H,11,12)(H2,9,13,14).
What are the key properties of N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of -1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).