3-acetamido-N-methylsulfonylpropanamide

C6H12N2O4S — CID 164603951

IUPAC3-acetamido-N-methylsulfonylpropanamide
SMILESCC(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-5(9)7-4-3-6(10)8-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyDNTHNKHMFCPWAI-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.41
Rot. Bonds4

About 3-acetamido-N-methylsulfonylpropanamide

3-acetamido-N-methylsulfonylpropanamide (PubChem CID 164603951) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-acetamido-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-methylsulfonylpropanamide
PubChem CID164603951
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name3-acetamido-N-methylsulfonylpropanamide
SMILESCC(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-5(9)7-4-3-6(10)8-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyDNTHNKHMFCPWAI-UHFFFAOYSA-N
XLogP-1.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methylsulfonylpropanamide?
The IUPAC name of 3-acetamido-N-methylsulfonylpropanamide (CID 164603951) is 3-acetamido-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-acetamido-N-methylsulfonylpropanamide?
The canonical SMILES for 3-acetamido-N-methylsulfonylpropanamide is CC(=O)NCCC(=O)NS(C)(=O)=O.
What is the InChIKey of 3-acetamido-N-methylsulfonylpropanamide?
The InChIKey is DNTHNKHMFCPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-5(9)7-4-3-6(10)8-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of 3-acetamido-N-methylsulfonylpropanamide?
3-acetamido-N-methylsulfonylpropanamide has a molecular weight of 208.24 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methylsulfonylpropanamide is sourced from PubChem (CID 164603951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).