1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

C6H13NO3S — CID 60878767

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESCC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(8)5-7-3-2-4-11(7,9)10/h6,8H,2-5H2,1H3
InChIKeyBKOAPTUROUHUQI-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds2

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (PubChem CID 60878767) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
PubChem CID60878767
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESCC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(8)5-7-3-2-4-11(7,9)10/h6,8H,2-5H2,1H3
InChIKeyBKOAPTUROUHUQI-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-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 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (CID 60878767) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is CC(O)CN1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The InChIKey is BKOAPTUROUHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(8)5-7-3-2-4-11(7,9)10/h6,8H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is sourced from PubChem (CID 60878767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).