2-(2-methylsulfonylethylamino)acetamide

C5H12N2O3S — CID 58572070

IUPAC2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)3-2-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyYKTWCTVEYTUISE-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.89
Rot. Bonds5

About 2-(2-methylsulfonylethylamino)acetamide

2-(2-methylsulfonylethylamino)acetamide (PubChem CID 58572070) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)acetamide
PubChem CID58572070
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)3-2-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyYKTWCTVEYTUISE-UHFFFAOYSA-N
XLogP-1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylsulfonylethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)acetamide?
The IUPAC name of 2-(2-methylsulfonylethylamino)acetamide (CID 58572070) is 2-(2-methylsulfonylethylamino)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)acetamide?
The canonical SMILES for 2-(2-methylsulfonylethylamino)acetamide is CS(=O)(=O)CCNCC(N)=O.
What is the InChIKey of 2-(2-methylsulfonylethylamino)acetamide?
The InChIKey is YKTWCTVEYTUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(9,10)3-2-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8).
What are the key properties of 2-(2-methylsulfonylethylamino)acetamide?
2-(2-methylsulfonylethylamino)acetamide has a molecular weight of 180.23 g/mol, XLogP of -1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)acetamide is sourced from PubChem (CID 58572070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).