(2S)-2-acetamido-4-methylsulfanylbutanamide

C7H14N2O2S — CID 7004900

IUPAC(2S)-2-acetamido-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t6-/m0/s1
InChIKeyAJQATZBTQNYZFO-LURJTMIESA-N
MW190.27 g/mol
LogP-0.27
Rot. Bonds5

About (2S)-2-acetamido-4-methylsulfanylbutanamide

(2S)-2-acetamido-4-methylsulfanylbutanamide (PubChem CID 7004900) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methylsulfanylbutanamide
PubChem CID7004900
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(2S)-2-acetamido-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t6-/m0/s1
InChIKeyAJQATZBTQNYZFO-LURJTMIESA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-acetamido-4-methylsulfanylbutanamide (CID 7004900) is (2S)-2-acetamido-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-acetamido-4-methylsulfanylbutanamide is CSCC[C@H](NC(C)=O)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-4-methylsulfanylbutanamide?
The InChIKey is AJQATZBTQNYZFO-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methylsulfanylbutanamide?
(2S)-2-acetamido-4-methylsulfanylbutanamide has a molecular weight of 190.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methylsulfanylbutanamide is sourced from PubChem (CID 7004900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).