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

C7H15NO3S — CID 115584238

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
SMILESCCC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-2-7(9)6-8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3
InChIKeyYAANGCLYXFIGFR-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds3

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol (PubChem CID 115584238) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
PubChem CID115584238
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
SMILESCCC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-2-7(9)6-8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3
InChIKeyYAANGCLYXFIGFR-UHFFFAOYSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol (CID 115584238) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol is CCC(O)CN1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol?
The InChIKey is YAANGCLYXFIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-7(9)6-8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 3 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)butan-2-ol is sourced from PubChem (CID 115584238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).