2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol

C7H15NO4S — CID 104550732

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(5-9,6-10)8-3-2-4-13(8,11)12/h9-10H,2-6H2,1H3
InChIKeyLGYHRUBNKDPBOB-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.23
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol (PubChem CID 104550732) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol
PubChem CID104550732
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(5-9,6-10)8-3-2-4-13(8,11)12/h9-10H,2-6H2,1H3
InChIKeyLGYHRUBNKDPBOB-UHFFFAOYSA-N
XLogP-1.23
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Hydroxymethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982013
2-Isothiazolidineethanol, 1,1-dioxide
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[1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methanol
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3-(1,1-Dioxo-1,2-thiazolidin-2-yl)butan-2-ol
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2-(1,1-Dioxo-1,2-thiazolidin-2-yl)propan-1-ol
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CID 93704089
1-(2-Hydroxyethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103357033
2-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
CID 104549019
2-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
CID 104549037
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)butan-1-ol
CID 104549053
2-Methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
CID 104549066
2-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
CID 104549204

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol (CID 104550732) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol is CC(CO)(CO)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol?
The InChIKey is LGYHRUBNKDPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(5-9,6-10)8-3-2-4-13(8,11)12/h9-10H,2-6H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol has a molecular weight of 209.27 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 104550732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).