4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide

C8H17N3O3S — CID 63716438

IUPAC4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-6-4-10-5-7(6)8(12)11-2-3-15(9,13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyXAINXIMZYMXALT-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.75
Rot. Bonds4

About 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide

4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide (PubChem CID 63716438) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
PubChem CID63716438
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-6-4-10-5-7(6)8(12)11-2-3-15(9,13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyXAINXIMZYMXALT-UHFFFAOYSA-N
XLogP-1.75
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide (CID 63716438) is 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XAINXIMZYMXALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-6-4-10-5-7(6)8(12)11-2-3-15(9,13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide?
4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63716438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).