N-hydroxy-6-phenylsulfanylhexanamide

C12H17NO2S — CID 11637291

IUPACN-hydroxy-6-phenylsulfanylhexanamide
SMILESO=C(CCCCCSc1ccccc1)NO
InChIInChI=1S/C12H17NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyRFQHGQGHSXXDPZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.84
Rot. Bonds7

About N-hydroxy-6-phenylsulfanylhexanamide

N-hydroxy-6-phenylsulfanylhexanamide (PubChem CID 11637291) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-hydroxy-6-phenylsulfanylhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-phenylsulfanylhexanamide
PubChem CID11637291
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-hydroxy-6-phenylsulfanylhexanamide
SMILESO=C(CCCCCSc1ccccc1)NO
InChIInChI=1S/C12H17NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyRFQHGQGHSXXDPZ-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.84
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-6-phenylsulfanylhexanamide?
The IUPAC name of N-hydroxy-6-phenylsulfanylhexanamide (CID 11637291) is N-hydroxy-6-phenylsulfanylhexanamide.
What is the SMILES notation for N-hydroxy-6-phenylsulfanylhexanamide?
The canonical SMILES for N-hydroxy-6-phenylsulfanylhexanamide is O=C(CCCCCSc1ccccc1)NO.
What is the InChIKey of N-hydroxy-6-phenylsulfanylhexanamide?
The InChIKey is RFQHGQGHSXXDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14).
What are the key properties of N-hydroxy-6-phenylsulfanylhexanamide?
N-hydroxy-6-phenylsulfanylhexanamide has a molecular weight of 239.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-phenylsulfanylhexanamide is sourced from PubChem (CID 11637291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).