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

C6H12N2O2S — CID 11949287

IUPAC(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide
SMILESCNC(=O)[C@H](CS)NC(C)=O
InChIInChI=1S/C6H12N2O2S/c1-4(9)8-5(3-11)6(10)7-2/h5,11H,3H2,1-2H3,(H,7,10)(H,8,9)/t5-/m0/s1
InChIKeyRAHKYMLIVZZMIH-YFKPBYRVSA-N
MW176.24 g/mol
LogP-0.83
Rot. Bonds3

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

(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide (PubChem CID 11949287) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide
PubChem CID11949287
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide
SMILESCNC(=O)[C@H](CS)NC(C)=O
InChIInChI=1S/C6H12N2O2S/c1-4(9)8-5(3-11)6(10)7-2/h5,11H,3H2,1-2H3,(H,7,10)(H,8,9)/t5-/m0/s1
InChIKeyRAHKYMLIVZZMIH-YFKPBYRVSA-N
XLogP-0.83
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.83
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-N-methyl-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide (CID 11949287) is (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide is CNC(=O)[C@H](CS)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide?
The InChIKey is RAHKYMLIVZZMIH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-4(9)8-5(3-11)6(10)7-2/h5,11H,3H2,1-2H3,(H,7,10)(H,8,9)/t5-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide?
(2R)-2-acetamido-N-methyl-3-sulfanylpropanamide has a molecular weight of 176.24 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 11949287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).