3-acetamido-N-(2-sulfanylethyl)propanamide

C7H14N2O2S — CID 10943281

IUPAC3-acetamido-N-(2-sulfanylethyl)propanamide
SMILESCC(=O)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O2S/c1-6(10)8-3-2-7(11)9-4-5-12/h12H,2-5H2,1H3,(H,8,10)(H,9,11)
InChIKeyUTUANHHJYGDYCT-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.44
Rot. Bonds5

About 3-acetamido-N-(2-sulfanylethyl)propanamide

3-acetamido-N-(2-sulfanylethyl)propanamide (PubChem CID 10943281) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-acetamido-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-sulfanylethyl)propanamide
PubChem CID10943281
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name3-acetamido-N-(2-sulfanylethyl)propanamide
SMILESCC(=O)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O2S/c1-6(10)8-3-2-7(11)9-4-5-12/h12H,2-5H2,1H3,(H,8,10)(H,9,11)
InChIKeyUTUANHHJYGDYCT-UHFFFAOYSA-N
XLogP-0.44
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-sulfanylethyl)propanamide (CID 10943281) is 3-acetamido-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-sulfanylethyl)propanamide is CC(=O)NCCC(=O)NCCS.
What is the InChIKey of 3-acetamido-N-(2-sulfanylethyl)propanamide?
The InChIKey is UTUANHHJYGDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(10)8-3-2-7(11)9-4-5-12/h12H,2-5H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 3-acetamido-N-(2-sulfanylethyl)propanamide?
3-acetamido-N-(2-sulfanylethyl)propanamide has a molecular weight of 190.27 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 10943281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).