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

C9H19N3O3S — CID 63714518

IUPAC4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-7-5-11-6-8(7)9(13)12-3-2-4-16(10,14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyPHNGJPVABSZXJU-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.36
Rot. Bonds5

About 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide

4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63714518) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
PubChem CID63714518
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-7-5-11-6-8(7)9(13)12-3-2-4-16(10,14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyPHNGJPVABSZXJU-UHFFFAOYSA-N
XLogP-1.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-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 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (CID 63714518) is 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is PHNGJPVABSZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-7-5-11-6-8(7)9(13)12-3-2-4-16(10,14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).