N-phenyl-5-sulfanylpentanamide

C11H15NOS — CID 11608171

IUPACN-phenyl-5-sulfanylpentanamide
SMILESO=C(CCCCS)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c13-11(8-4-5-9-14)12-10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,12,13)
InChIKeyAGRMYYLOBIRRKQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.73
Rot. Bonds5

About N-phenyl-5-sulfanylpentanamide

N-phenyl-5-sulfanylpentanamide (PubChem CID 11608171) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-phenyl-5-sulfanylpentanamide.

Molecular Properties

Compound NameN-phenyl-5-sulfanylpentanamide
PubChem CID11608171
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-phenyl-5-sulfanylpentanamide
SMILESO=C(CCCCS)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c13-11(8-4-5-9-14)12-10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,12,13)
InChIKeyAGRMYYLOBIRRKQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.73
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-5-sulfanylpentanamide?
The IUPAC name of N-phenyl-5-sulfanylpentanamide (CID 11608171) is N-phenyl-5-sulfanylpentanamide.
What is the SMILES notation for N-phenyl-5-sulfanylpentanamide?
The canonical SMILES for N-phenyl-5-sulfanylpentanamide is O=C(CCCCS)Nc1ccccc1.
What is the InChIKey of N-phenyl-5-sulfanylpentanamide?
The InChIKey is AGRMYYLOBIRRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(8-4-5-9-14)12-10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,12,13).
What are the key properties of N-phenyl-5-sulfanylpentanamide?
N-phenyl-5-sulfanylpentanamide has a molecular weight of 209.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-sulfanylpentanamide is sourced from PubChem (CID 11608171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).