N-phenyl-6-sulfanylhexanamide

C12H17NOS — CID 11436024

IUPACN-phenyl-6-sulfanylhexanamide
SMILESO=C(CCCCCS)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyIFUHTURYMZWNNJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.12
Rot. Bonds6

About N-phenyl-6-sulfanylhexanamide

N-phenyl-6-sulfanylhexanamide (PubChem CID 11436024) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-phenyl-6-sulfanylhexanamide.

Molecular Properties

Compound NameN-phenyl-6-sulfanylhexanamide
PubChem CID11436024
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-phenyl-6-sulfanylhexanamide
SMILESO=C(CCCCCS)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyIFUHTURYMZWNNJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-sulfanylhexanamide?
The IUPAC name of N-phenyl-6-sulfanylhexanamide (CID 11436024) is N-phenyl-6-sulfanylhexanamide.
What is the SMILES notation for N-phenyl-6-sulfanylhexanamide?
The canonical SMILES for N-phenyl-6-sulfanylhexanamide is O=C(CCCCCS)Nc1ccccc1.
What is the InChIKey of N-phenyl-6-sulfanylhexanamide?
The InChIKey is IFUHTURYMZWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14).
What are the key properties of N-phenyl-6-sulfanylhexanamide?
N-phenyl-6-sulfanylhexanamide has a molecular weight of 223.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-sulfanylhexanamide is sourced from PubChem (CID 11436024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).