(2R)-2-acetamido-3-sulfanylpropanamide

C5H10N2O2S — CID 10176265

IUPAC(2R)-2-acetamido-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1
InChIKeyUJCHIZDEQZMODR-BYPYZUCNSA-N
MW162.21 g/mol
LogP-1.09
Rot. Bonds3

About (2R)-2-acetamido-3-sulfanylpropanamide

(2R)-2-acetamido-3-sulfanylpropanamide (PubChem CID 10176265) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2R)-2-acetamido-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-sulfanylpropanamide
PubChem CID10176265
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name(2R)-2-acetamido-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1
InChIKeyUJCHIZDEQZMODR-BYPYZUCNSA-N
XLogP-1.09
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-1.09
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 (2R)-2-acetamido-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-3-sulfanylpropanamide (CID 10176265) is (2R)-2-acetamido-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-3-sulfanylpropanamide is CC(=O)N[C@@H](CS)C(N)=O.
What is the InChIKey of (2R)-2-acetamido-3-sulfanylpropanamide?
The InChIKey is UJCHIZDEQZMODR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-sulfanylpropanamide?
(2R)-2-acetamido-3-sulfanylpropanamide has a molecular weight of 162.21 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-sulfanylpropanamide is sourced from PubChem (CID 10176265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).