N-hydroxy-4-methylsulfanylbutanamide

C5H11NO2S — CID 20675565

IUPACN-hydroxy-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NO
InChIInChI=1S/C5H11NO2S/c1-9-4-2-3-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)
InChIKeyRWHZINOCPKOCJP-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.63
Rot. Bonds4

About N-hydroxy-4-methylsulfanylbutanamide

N-hydroxy-4-methylsulfanylbutanamide (PubChem CID 20675565) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-hydroxy-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-methylsulfanylbutanamide
PubChem CID20675565
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-hydroxy-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NO
InChIInChI=1S/C5H11NO2S/c1-9-4-2-3-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)
InChIKeyRWHZINOCPKOCJP-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-4-methylsulfanylbutanamide?
The IUPAC name of N-hydroxy-4-methylsulfanylbutanamide (CID 20675565) is N-hydroxy-4-methylsulfanylbutanamide.
What is the SMILES notation for N-hydroxy-4-methylsulfanylbutanamide?
The canonical SMILES for N-hydroxy-4-methylsulfanylbutanamide is CSCCCC(=O)NO.
What is the InChIKey of N-hydroxy-4-methylsulfanylbutanamide?
The InChIKey is RWHZINOCPKOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-4-2-3-5(7)6-8/h8H,2-4H2,1H3,(H,6,7).
What are the key properties of N-hydroxy-4-methylsulfanylbutanamide?
N-hydroxy-4-methylsulfanylbutanamide has a molecular weight of 149.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methylsulfanylbutanamide is sourced from PubChem (CID 20675565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).