N-hydroxy-6-phenylhexanamide;thiohydroxylamine

C12H20N2O2S — CID 142086803

IUPACN-hydroxy-6-phenylhexanamide;thiohydroxylamine
SMILESNS.O=C(CCCCCc1ccccc1)NO
InChIInChI=1S/C12H17NO2.H3NS/c14-12(13-15)10-6-2-5-9-11-7-3-1-4-8-11;1-2/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14);2H,1H2
InChIKeyJKRWLBOOVKLJPV-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds6

About N-hydroxy-6-phenylhexanamide;thiohydroxylamine

N-hydroxy-6-phenylhexanamide;thiohydroxylamine (PubChem CID 142086803) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-hydroxy-6-phenylhexanamide;thiohydroxylamine.

Molecular Properties

Compound NameN-hydroxy-6-phenylhexanamide;thiohydroxylamine
PubChem CID142086803
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-hydroxy-6-phenylhexanamide;thiohydroxylamine
SMILESNS.O=C(CCCCCc1ccccc1)NO
InChIInChI=1S/C12H17NO2.H3NS/c14-12(13-15)10-6-2-5-9-11-7-3-1-4-8-11;1-2/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14);2H,1H2
InChIKeyJKRWLBOOVKLJPV-UHFFFAOYSA-N
XLogP2.08
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-9-phenylnonanamide
CID 118028570
1,9-diphenylnonan-5-one
CID 23467830
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N-ethyl-6-phenylhexanamide
CID 70953257
15-phenylpentadecanoic acid
CID 2737151
N-carbamothioyl-5-phenylpentanamide
CID 154164034
13-phenyltridecane-2,4-dione
CID 19792481
6-[4-(4-ethylphenyl)phenyl]-N-hydroxyhexanamide
CID 142170347
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-phenylhexanamide;thiohydroxylamine?
The IUPAC name of N-hydroxy-6-phenylhexanamide;thiohydroxylamine (CID 142086803) is N-hydroxy-6-phenylhexanamide;thiohydroxylamine.
What is the SMILES notation for N-hydroxy-6-phenylhexanamide;thiohydroxylamine?
The canonical SMILES for N-hydroxy-6-phenylhexanamide;thiohydroxylamine is NS.O=C(CCCCCc1ccccc1)NO.
What is the InChIKey of N-hydroxy-6-phenylhexanamide;thiohydroxylamine?
The InChIKey is JKRWLBOOVKLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.H3NS/c14-12(13-15)10-6-2-5-9-11-7-3-1-4-8-11;1-2/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14);2H,1H2.
What are the key properties of N-hydroxy-6-phenylhexanamide;thiohydroxylamine?
N-hydroxy-6-phenylhexanamide;thiohydroxylamine has a molecular weight of 256.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-phenylhexanamide;thiohydroxylamine is sourced from PubChem (CID 142086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).