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

C7H15NO3S — CID 104549204

IUPAC2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
SMILESCC1CN(C(C)CO)S(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-6-3-8(7(2)4-9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyVNAVTHQXNPFELT-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds2

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

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol (PubChem CID 104549204) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
PubChem CID104549204
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
SMILESCC1CN(C(C)CO)S(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-6-3-8(7(2)4-9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyVNAVTHQXNPFELT-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.35
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)propan-1-ol?
The IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol (CID 104549204) is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol is CC1CN(C(C)CO)S(=O)(=O)C1.
What is the InChIKey of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
The InChIKey is VNAVTHQXNPFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-3-8(7(2)4-9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 2 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)propan-1-ol is sourced from PubChem (CID 104549204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).