(2S)-2-amino-4-ethylsulfanylbutanamide

C6H14N2OS — CID 70452068

IUPAC(2S)-2-amino-4-ethylsulfanylbutanamide
SMILESCCSCC[C@H](N)C(N)=O
InChIInChI=1S/C6H14N2OS/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1
InChIKeyACQBGZGVXSOMPD-YFKPBYRVSA-N
MW162.26 g/mol
LogP-0.06
Rot. Bonds5

About (2S)-2-amino-4-ethylsulfanylbutanamide

(2S)-2-amino-4-ethylsulfanylbutanamide (PubChem CID 70452068) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is (2S)-2-amino-4-ethylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-ethylsulfanylbutanamide
PubChem CID70452068
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-amino-4-ethylsulfanylbutanamide
SMILESCCSCC[C@H](N)C(N)=O
InChIInChI=1S/C6H14N2OS/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1
InChIKeyACQBGZGVXSOMPD-YFKPBYRVSA-N
XLogP-0.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-ethylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-4-ethylsulfanylbutanamide (CID 70452068) is (2S)-2-amino-4-ethylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-ethylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-4-ethylsulfanylbutanamide is CCSCC[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-4-ethylsulfanylbutanamide?
The InChIKey is ACQBGZGVXSOMPD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-ethylsulfanylbutanamide?
(2S)-2-amino-4-ethylsulfanylbutanamide has a molecular weight of 162.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-ethylsulfanylbutanamide is sourced from PubChem (CID 70452068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).