N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide

C11H15NO2S — CID 88920341

IUPACN-hydroxy-4-(2-methylphenyl)sulfanylbutanamide
SMILESCc1ccccc1SCCCC(=O)NO
InChIInChI=1S/C11H15NO2S/c1-9-5-2-3-6-10(9)15-8-4-7-11(13)12-14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13)
InChIKeyWYFOQNXZMAYWTP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.37
Rot. Bonds5

About N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide

N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide (PubChem CID 88920341) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-(2-methylphenyl)sulfanylbutanamide
PubChem CID88920341
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-hydroxy-4-(2-methylphenyl)sulfanylbutanamide
SMILESCc1ccccc1SCCCC(=O)NO
InChIInChI=1S/C11H15NO2S/c1-9-5-2-3-6-10(9)15-8-4-7-11(13)12-14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13)
InChIKeyWYFOQNXZMAYWTP-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.37
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-(2-methylphenyl)sulfanylbutanamide?
The IUPAC name of N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide (CID 88920341) is N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide?
The canonical SMILES for N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide is Cc1ccccc1SCCCC(=O)NO.
What is the InChIKey of N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide?
The InChIKey is WYFOQNXZMAYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-5-2-3-6-10(9)15-8-4-7-11(13)12-14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13).
What are the key properties of N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide?
N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide has a molecular weight of 225.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 88920341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).