4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol

C7H15NO4S — CID 60665734

IUPAC4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CCO)C1CS(=O)(=O)CC1O
InChIInChI=1S/C7H15NO4S/c1-8(2-3-9)6-4-13(11,12)5-7(6)10/h6-7,9-10H,2-5H2,1H3
InChIKeyDBFVRVVLPIHFPY-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.93
Rot. Bonds3

About 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol

4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 60665734) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID60665734
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CCO)C1CS(=O)(=O)CC1O
InChIInChI=1S/C7H15NO4S/c1-8(2-3-9)6-4-13(11,12)5-7(6)10/h6-7,9-10H,2-5H2,1H3
InChIKeyDBFVRVVLPIHFPY-UHFFFAOYSA-N
XLogP-1.93
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-hydroxyethyl(methyl)amino]-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-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol (CID 60665734) is 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol is CN(CCO)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is DBFVRVVLPIHFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-8(2-3-9)6-4-13(11,12)5-7(6)10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 209.27 g/mol, XLogP of -1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).