1-[2-(benzylideneamino)ethylsulfonyl]ethanol

C11H15NO3S — CID 139898780

IUPAC1-[2-(benzylideneamino)ethylsulfonyl]ethanol
SMILESCC(O)S(=O)(=O)CC/N=C/c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(13)16(14,15)8-7-12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+
InChIKeyUJLDFDQALTUHRA-FMIVXFBMSA-N
MW241.31 g/mol
LogP0.86
Rot. Bonds5

About 1-[2-(benzylideneamino)ethylsulfonyl]ethanol

1-[2-(benzylideneamino)ethylsulfonyl]ethanol (PubChem CID 139898780) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-(benzylideneamino)ethylsulfonyl]ethanol.

Molecular Properties

Compound Name1-[2-(benzylideneamino)ethylsulfonyl]ethanol
PubChem CID139898780
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-[2-(benzylideneamino)ethylsulfonyl]ethanol
SMILESCC(O)S(=O)(=O)CC/N=C/c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(13)16(14,15)8-7-12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+
InChIKeyUJLDFDQALTUHRA-FMIVXFBMSA-N
XLogP0.86
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylideneamino)ethylsulfonyl]ethanol?
The IUPAC name of 1-[2-(benzylideneamino)ethylsulfonyl]ethanol (CID 139898780) is 1-[2-(benzylideneamino)ethylsulfonyl]ethanol.
What is the SMILES notation for 1-[2-(benzylideneamino)ethylsulfonyl]ethanol?
The canonical SMILES for 1-[2-(benzylideneamino)ethylsulfonyl]ethanol is CC(O)S(=O)(=O)CC/N=C/c1ccccc1.
What is the InChIKey of 1-[2-(benzylideneamino)ethylsulfonyl]ethanol?
The InChIKey is UJLDFDQALTUHRA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-10(13)16(14,15)8-7-12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+.
What are the key properties of 1-[2-(benzylideneamino)ethylsulfonyl]ethanol?
1-[2-(benzylideneamino)ethylsulfonyl]ethanol has a molecular weight of 241.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylideneamino)ethylsulfonyl]ethanol is sourced from PubChem (CID 139898780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).