N-phenyl-8-sulfanyloctanamide

C14H21NOS — CID 11149404

IUPACN-phenyl-8-sulfanyloctanamide
SMILESO=C(CCCCCCCS)Nc1ccccc1
InChIInChI=1S/C14H21NOS/c16-14(11-7-2-1-3-8-12-17)15-13-9-5-4-6-10-13/h4-6,9-10,17H,1-3,7-8,11-12H2,(H,15,16)
InChIKeyVTVJPXWTXILBGK-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.90
Rot. Bonds8

About N-phenyl-8-sulfanyloctanamide

N-phenyl-8-sulfanyloctanamide (PubChem CID 11149404) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-phenyl-8-sulfanyloctanamide.

Molecular Properties

Compound NameN-phenyl-8-sulfanyloctanamide
PubChem CID11149404
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-phenyl-8-sulfanyloctanamide
SMILESO=C(CCCCCCCS)Nc1ccccc1
InChIInChI=1S/C14H21NOS/c16-14(11-7-2-1-3-8-12-17)15-13-9-5-4-6-10-13/h4-6,9-10,17H,1-3,7-8,11-12H2,(H,15,16)
InChIKeyVTVJPXWTXILBGK-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.90
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-8-sulfanyloctanamide?
The IUPAC name of N-phenyl-8-sulfanyloctanamide (CID 11149404) is N-phenyl-8-sulfanyloctanamide.
What is the SMILES notation for N-phenyl-8-sulfanyloctanamide?
The canonical SMILES for N-phenyl-8-sulfanyloctanamide is O=C(CCCCCCCS)Nc1ccccc1.
What is the InChIKey of N-phenyl-8-sulfanyloctanamide?
The InChIKey is VTVJPXWTXILBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-14(11-7-2-1-3-8-12-17)15-13-9-5-4-6-10-13/h4-6,9-10,17H,1-3,7-8,11-12H2,(H,15,16).
What are the key properties of N-phenyl-8-sulfanyloctanamide?
N-phenyl-8-sulfanyloctanamide has a molecular weight of 251.39 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8-sulfanyloctanamide is sourced from PubChem (CID 11149404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).