2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol

C8H17NO3S — CID 104549037

IUPAC2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESCCC(CO)N1CC(C)CS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-3-8(5-10)9-4-7(2)6-13(9,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyWNEFZEDIOKUKQN-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds3

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

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (PubChem CID 104549037) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
PubChem CID104549037
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESCCC(CO)N1CC(C)CS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-3-8(5-10)9-4-7(2)6-13(9,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyWNEFZEDIOKUKQN-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (CID 104549037) is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.
What is the SMILES notation for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The canonical SMILES for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is CCC(CO)N1CC(C)CS1(=O)=O.
What is the InChIKey of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The InChIKey is WNEFZEDIOKUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-8(5-10)9-4-7(2)6-13(9,11)12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is sourced from PubChem (CID 104549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).