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

C9H19N3O3S — CID 63141904

IUPAC3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C9H19N3O3S/c1-9(3-5-11-7-9)8(13)12-4-2-6-16(10,14)15/h11H,2-7H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyFDONIHMEYHEPTL-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.22
Rot. Bonds5

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

3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63141904) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
PubChem CID63141904
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C9H19N3O3S/c1-9(3-5-11-7-9)8(13)12-4-2-6-16(10,14)15/h11H,2-7H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyFDONIHMEYHEPTL-UHFFFAOYSA-N
XLogP-1.22
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 ≤ 5-1.22
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 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (CID 63141904) is 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is CC1(C(=O)NCCCS(N)(=O)=O)CCNC1.
What is the InChIKey of 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is FDONIHMEYHEPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-9(3-5-11-7-9)8(13)12-4-2-6-16(10,14)15/h11H,2-7H2,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).