4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol

C8H17NO3S — CID 79361203

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,10)4-6-9-5-3-7-13(9,11)12/h10H,3-7H2,1-2H3
InChIKeyOZOSEUXVPDDFNQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol (PubChem CID 79361203) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
PubChem CID79361203
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,10)4-6-9-5-3-7-13(9,11)12/h10H,3-7H2,1-2H3
InChIKeyOZOSEUXVPDDFNQ-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol (CID 79361203) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol?
The InChIKey is OZOSEUXVPDDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,10)4-6-9-5-3-7-13(9,11)12/h10H,3-7H2,1-2H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79361203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).