2-(4-prop-2-enylsulfanylanilino)ethanol

C11H15NOS — CID 70456918

IUPAC2-(4-prop-2-enylsulfanylanilino)ethanol
SMILESC=CCSc1ccc(NCCO)cc1
InChIInChI=1S/C11H15NOS/c1-2-9-14-11-5-3-10(4-6-11)12-7-8-13/h2-6,12-13H,1,7-9H2
InChIKeyOVPPSIJFNIBEPN-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-prop-2-enylsulfanylanilino)ethanol

2-(4-prop-2-enylsulfanylanilino)ethanol (PubChem CID 70456918) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-prop-2-enylsulfanylanilino)ethanol.

Molecular Properties

Compound Name2-(4-prop-2-enylsulfanylanilino)ethanol
PubChem CID70456918
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(4-prop-2-enylsulfanylanilino)ethanol
SMILESC=CCSc1ccc(NCCO)cc1
InChIInChI=1S/C11H15NOS/c1-2-9-14-11-5-3-10(4-6-11)12-7-8-13/h2-6,12-13H,1,7-9H2
InChIKeyOVPPSIJFNIBEPN-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enylsulfanylanilino)ethanol?
The IUPAC name of 2-(4-prop-2-enylsulfanylanilino)ethanol (CID 70456918) is 2-(4-prop-2-enylsulfanylanilino)ethanol.
What is the SMILES notation for 2-(4-prop-2-enylsulfanylanilino)ethanol?
The canonical SMILES for 2-(4-prop-2-enylsulfanylanilino)ethanol is C=CCSc1ccc(NCCO)cc1.
What is the InChIKey of 2-(4-prop-2-enylsulfanylanilino)ethanol?
The InChIKey is OVPPSIJFNIBEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-9-14-11-5-3-10(4-6-11)12-7-8-13/h2-6,12-13H,1,7-9H2.
What are the key properties of 2-(4-prop-2-enylsulfanylanilino)ethanol?
2-(4-prop-2-enylsulfanylanilino)ethanol has a molecular weight of 209.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylsulfanylanilino)ethanol is sourced from PubChem (CID 70456918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).