N'-(2-methylsulfonylethyl)oxamide

C5H10N2O4S — CID 90229220

IUPACN'-(2-methylsulfonylethyl)oxamide
SMILESCS(=O)(=O)CCNC(=O)C(N)=O
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)3-2-7-5(9)4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyBHSGNNJIXFOXNU-UHFFFAOYSA-N
MW194.21 g/mol
LogP-2.37
Rot. Bonds3

About N'-(2-methylsulfonylethyl)oxamide

N'-(2-methylsulfonylethyl)oxamide (PubChem CID 90229220) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is N'-(2-methylsulfonylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylsulfonylethyl)oxamide
PubChem CID90229220
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC NameN'-(2-methylsulfonylethyl)oxamide
SMILESCS(=O)(=O)CCNC(=O)C(N)=O
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)3-2-7-5(9)4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyBHSGNNJIXFOXNU-UHFFFAOYSA-N
XLogP-2.37
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfonylethyl)oxamide?
The IUPAC name of N'-(2-methylsulfonylethyl)oxamide (CID 90229220) is N'-(2-methylsulfonylethyl)oxamide.
What is the SMILES notation for N'-(2-methylsulfonylethyl)oxamide?
The canonical SMILES for N'-(2-methylsulfonylethyl)oxamide is CS(=O)(=O)CCNC(=O)C(N)=O.
What is the InChIKey of N'-(2-methylsulfonylethyl)oxamide?
The InChIKey is BHSGNNJIXFOXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-12(10,11)3-2-7-5(9)4(6)8/h2-3H2,1H3,(H2,6,8)(H,7,9).
What are the key properties of N'-(2-methylsulfonylethyl)oxamide?
N'-(2-methylsulfonylethyl)oxamide has a molecular weight of 194.21 g/mol, XLogP of -2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfonylethyl)oxamide is sourced from PubChem (CID 90229220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).