2-ethylsulfanyl-N-hydroxybutanamide

C6H13NO2S — CID 21397855

IUPAC2-ethylsulfanyl-N-hydroxybutanamide
SMILESCCSC(CC)C(=O)NO
InChIInChI=1S/C6H13NO2S/c1-3-5(10-4-2)6(8)7-9/h5,9H,3-4H2,1-2H3,(H,7,8)
InChIKeySTXCKXDLMAMIHY-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.02
Rot. Bonds4

About 2-ethylsulfanyl-N-hydroxybutanamide

2-ethylsulfanyl-N-hydroxybutanamide (PubChem CID 21397855) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-hydroxybutanamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-hydroxybutanamide
PubChem CID21397855
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-ethylsulfanyl-N-hydroxybutanamide
SMILESCCSC(CC)C(=O)NO
InChIInChI=1S/C6H13NO2S/c1-3-5(10-4-2)6(8)7-9/h5,9H,3-4H2,1-2H3,(H,7,8)
InChIKeySTXCKXDLMAMIHY-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-hydroxybutanamide?
The IUPAC name of 2-ethylsulfanyl-N-hydroxybutanamide (CID 21397855) is 2-ethylsulfanyl-N-hydroxybutanamide.
What is the SMILES notation for 2-ethylsulfanyl-N-hydroxybutanamide?
The canonical SMILES for 2-ethylsulfanyl-N-hydroxybutanamide is CCSC(CC)C(=O)NO.
What is the InChIKey of 2-ethylsulfanyl-N-hydroxybutanamide?
The InChIKey is STXCKXDLMAMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5(10-4-2)6(8)7-9/h5,9H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-ethylsulfanyl-N-hydroxybutanamide?
2-ethylsulfanyl-N-hydroxybutanamide has a molecular weight of 163.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-hydroxybutanamide is sourced from PubChem (CID 21397855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).