6-(benzenesulfinyl)-N-hydroxyhexanamide

C12H17NO3S — CID 11694528

IUPAC6-(benzenesulfinyl)-N-hydroxyhexanamide
SMILESO=C(CCCCCS(=O)c1ccccc1)NO
InChIInChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyLIZWRHXVIWNMIS-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.86
Rot. Bonds7

About 6-(benzenesulfinyl)-N-hydroxyhexanamide

6-(benzenesulfinyl)-N-hydroxyhexanamide (PubChem CID 11694528) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-(benzenesulfinyl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(benzenesulfinyl)-N-hydroxyhexanamide
PubChem CID11694528
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name6-(benzenesulfinyl)-N-hydroxyhexanamide
SMILESO=C(CCCCCS(=O)c1ccccc1)NO
InChIInChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyLIZWRHXVIWNMIS-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.86
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 6-(benzenesulfinyl)-N-hydroxyhexanamide?
The IUPAC name of 6-(benzenesulfinyl)-N-hydroxyhexanamide (CID 11694528) is 6-(benzenesulfinyl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(benzenesulfinyl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(benzenesulfinyl)-N-hydroxyhexanamide is O=C(CCCCCS(=O)c1ccccc1)NO.
What is the InChIKey of 6-(benzenesulfinyl)-N-hydroxyhexanamide?
The InChIKey is LIZWRHXVIWNMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14).
What are the key properties of 6-(benzenesulfinyl)-N-hydroxyhexanamide?
6-(benzenesulfinyl)-N-hydroxyhexanamide has a molecular weight of 255.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfinyl)-N-hydroxyhexanamide is sourced from PubChem (CID 11694528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).