6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide

C14H21NO2S — CID 67490513

IUPAC6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide
SMILESCC(O)c1ccc(SCCCCCC(N)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-11(16)12-6-8-13(9-7-12)18-10-4-2-3-5-14(15)17/h6-9,11,16H,2-5,10H2,1H3,(H2,15,17)
InChIKeyBARLOMFPAAOZNT-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.88
Rot. Bonds8

About 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide

6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide (PubChem CID 67490513) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide.

Molecular Properties

Compound Name6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide
PubChem CID67490513
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide
SMILESCC(O)c1ccc(SCCCCCC(N)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-11(16)12-6-8-13(9-7-12)18-10-4-2-3-5-14(15)17/h6-9,11,16H,2-5,10H2,1H3,(H2,15,17)
InChIKeyBARLOMFPAAOZNT-UHFFFAOYSA-N
XLogP2.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide?
The IUPAC name of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide (CID 67490513) is 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide.
What is the SMILES notation for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide?
The canonical SMILES for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide is CC(O)c1ccc(SCCCCCC(N)=O)cc1.
What is the InChIKey of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide?
The InChIKey is BARLOMFPAAOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(16)12-6-8-13(9-7-12)18-10-4-2-3-5-14(15)17/h6-9,11,16H,2-5,10H2,1H3,(H2,15,17).
What are the key properties of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide?
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide has a molecular weight of 267.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexanamide is sourced from PubChem (CID 67490513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).