N-(2-sulfamoylethyl)propanamide

C5H12N2O3S — CID 61068184

IUPACN-(2-sulfamoylethyl)propanamide
SMILESCCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-2-5(8)7-3-4-11(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyPGNCYFCKIOVNOL-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.20
Rot. Bonds4

About N-(2-sulfamoylethyl)propanamide

N-(2-sulfamoylethyl)propanamide (PubChem CID 61068184) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)propanamide
PubChem CID61068184
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC NameN-(2-sulfamoylethyl)propanamide
SMILESCCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-2-5(8)7-3-4-11(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyPGNCYFCKIOVNOL-UHFFFAOYSA-N
XLogP-1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)propanamide?
The IUPAC name of N-(2-sulfamoylethyl)propanamide (CID 61068184) is N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for N-(2-sulfamoylethyl)propanamide is CCC(=O)NCCS(N)(=O)=O.
What is the InChIKey of N-(2-sulfamoylethyl)propanamide?
The InChIKey is PGNCYFCKIOVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-2-5(8)7-3-4-11(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10).
What are the key properties of N-(2-sulfamoylethyl)propanamide?
N-(2-sulfamoylethyl)propanamide has a molecular weight of 180.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 61068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).