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

C11H23N3O3S — CID 55164965

IUPAC3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C11H23N3O3S/c1-2-4-11(5-7-13-9-11)10(15)14-6-3-8-18(12,16)17/h13H,2-9H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyXDILPXIHJULKPS-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.44
Rot. Bonds7

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

3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (PubChem CID 55164965) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
PubChem CID55164965
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C11H23N3O3S/c1-2-4-11(5-7-13-9-11)10(15)14-6-3-8-18(12,16)17/h13H,2-9H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyXDILPXIHJULKPS-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-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 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (CID 55164965) is 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)NCCCS(N)(=O)=O)CCNC1.
What is the InChIKey of 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is XDILPXIHJULKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-4-11(5-7-13-9-11)10(15)14-6-3-8-18(12,16)17/h13H,2-9H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55164965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).