(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide

C8H14N2O2S — CID 88727895

IUPAC(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide
SMILESC=CCSC[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-13-5-7(8(9)12)10-6(2)11/h3,7H,1,4-5H2,2H3,(H2,9,12)(H,10,11)/t7-/m0/s1
InChIKeyNKALZUSLJHXYDY-ZETCQYMHSA-N
MW202.28 g/mol
LogP-0.10
Rot. Bonds6

About (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide

(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide (PubChem CID 88727895) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide
PubChem CID88727895
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide
SMILESC=CCSC[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-13-5-7(8(9)12)10-6(2)11/h3,7H,1,4-5H2,2H3,(H2,9,12)(H,10,11)/t7-/m0/s1
InChIKeyNKALZUSLJHXYDY-ZETCQYMHSA-N
XLogP-0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide (CID 88727895) is (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide is C=CCSC[C@H](NC(C)=O)C(N)=O.
What is the InChIKey of (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide?
The InChIKey is NKALZUSLJHXYDY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-4-13-5-7(8(9)12)10-6(2)11/h3,7H,1,4-5H2,2H3,(H2,9,12)(H,10,11)/t7-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide?
(2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-prop-2-enylsulfanylpropanamide is sourced from PubChem (CID 88727895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).