N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide

C7H17N3O4S2 — CID 65422646

IUPACN-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C7H17N3O4S2/c8-15(11,12)5-1-3-10-16(13,14)7-2-4-9-6-7/h7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyCGFGZJKZQFVHLZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-2.05
Rot. Bonds6

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

N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide (PubChem CID 65422646) has the molecular formula C7H17N3O4S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
PubChem CID65422646
Molecular FormulaC7H17N3O4S2
Molecular Weight271.36 g/mol
Exact Mass271.07
IUPAC NameN-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C7H17N3O4S2/c8-15(11,12)5-1-3-10-16(13,14)7-2-4-9-6-7/h7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyCGFGZJKZQFVHLZ-UHFFFAOYSA-N
XLogP-2.05
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-sulfonamide?
The IUPAC name of N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide (CID 65422646) is N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)CCCNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide?
The InChIKey is CGFGZJKZQFVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S2/c8-15(11,12)5-1-3-10-16(13,14)7-2-4-9-6-7/h7,9-10H,1-6H2,(H2,8,11,12).
What are the key properties of N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide?
N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65422646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).