3-oxo-N-(2-sulfamoylethyl)butanamide

C6H12N2O4S — CID 60933288

IUPAC3-oxo-N-(2-sulfamoylethyl)butanamide
SMILESCC(=O)CC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-5(9)4-6(10)8-2-3-13(7,11)12/h2-4H2,1H3,(H,8,10)(H2,7,11,12)
InChIKeyWBMIZLDINGKHFF-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.63
Rot. Bonds5

About 3-oxo-N-(2-sulfamoylethyl)butanamide

3-oxo-N-(2-sulfamoylethyl)butanamide (PubChem CID 60933288) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-oxo-N-(2-sulfamoylethyl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(2-sulfamoylethyl)butanamide
PubChem CID60933288
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name3-oxo-N-(2-sulfamoylethyl)butanamide
SMILESCC(=O)CC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-5(9)4-6(10)8-2-3-13(7,11)12/h2-4H2,1H3,(H,8,10)(H2,7,11,12)
InChIKeyWBMIZLDINGKHFF-UHFFFAOYSA-N
XLogP-1.63
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
2-(2-oxopropylamino)ethanesulfonamide
CID 157109351
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
5-chloro-N-(2-sulfamoylethyl)pentanamide
CID 43552084
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
N-(2-bromoethyl)-3-oxobutanamide
CID 21454933
N-(2-chloroethyl)-3-oxobutanamide
CID 3015258
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-sulfamoylethyl)butanamide?
The IUPAC name of 3-oxo-N-(2-sulfamoylethyl)butanamide (CID 60933288) is 3-oxo-N-(2-sulfamoylethyl)butanamide.
What is the SMILES notation for 3-oxo-N-(2-sulfamoylethyl)butanamide?
The canonical SMILES for 3-oxo-N-(2-sulfamoylethyl)butanamide is CC(=O)CC(=O)NCCS(N)(=O)=O.
What is the InChIKey of 3-oxo-N-(2-sulfamoylethyl)butanamide?
The InChIKey is WBMIZLDINGKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-5(9)4-6(10)8-2-3-13(7,11)12/h2-4H2,1H3,(H,8,10)(H2,7,11,12).
What are the key properties of 3-oxo-N-(2-sulfamoylethyl)butanamide?
3-oxo-N-(2-sulfamoylethyl)butanamide has a molecular weight of 208.24 g/mol, XLogP of -1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-sulfamoylethyl)butanamide is sourced from PubChem (CID 60933288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).