4-(benzylamino)-1,1-dioxothiolan-3-ol

C11H15NO3S — CID 3130260

IUPAC4-(benzylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccccc2)C1
InChIInChI=1S/C11H15NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyYMAQMGNGSKQAGF-UHFFFAOYSA-N
MW241.31 g/mol
LogP-0.07
Rot. Bonds3

About 4-(benzylamino)-1,1-dioxothiolan-3-ol

4-(benzylamino)-1,1-dioxothiolan-3-ol (PubChem CID 3130260) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(benzylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(benzylamino)-1,1-dioxothiolan-3-ol
PubChem CID3130260
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-(benzylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccccc2)C1
InChIInChI=1S/C11H15NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyYMAQMGNGSKQAGF-UHFFFAOYSA-N
XLogP-0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(benzylamino)-1,1-dioxothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(benzylamino)-1,1-dioxothiolan-3-ol (CID 3130260) is 4-(benzylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(benzylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(benzylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCc2ccccc2)C1.
What is the InChIKey of 4-(benzylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is YMAQMGNGSKQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2.
What are the key properties of 4-(benzylamino)-1,1-dioxothiolan-3-ol?
4-(benzylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 241.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 3130260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).