3-methyl-1,3-thiazolidine 1-oxide

C4H9NOS — CID 58967535

IUPAC3-methyl-1,3-thiazolidine 1-oxide
SMILESCN1CCS(=O)C1
InChIInChI=1S/C4H9NOS/c1-5-2-3-7(6)4-5/h2-4H2,1H3
InChIKeyQMJWLZYVHWHKFD-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.36
Rot. Bonds

About 3-methyl-1,3-thiazolidine 1-oxide

3-methyl-1,3-thiazolidine 1-oxide (PubChem CID 58967535) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 3-methyl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name3-methyl-1,3-thiazolidine 1-oxide
PubChem CID58967535
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name3-methyl-1,3-thiazolidine 1-oxide
SMILESCN1CCS(=O)C1
InChIInChI=1S/C4H9NOS/c1-5-2-3-7(6)4-5/h2-4H2,1H3
InChIKeyQMJWLZYVHWHKFD-UHFFFAOYSA-N
XLogP-0.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazolidine 1-oxide?
The IUPAC name of 3-methyl-1,3-thiazolidine 1-oxide (CID 58967535) is 3-methyl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 3-methyl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 3-methyl-1,3-thiazolidine 1-oxide is CN1CCS(=O)C1.
What is the InChIKey of 3-methyl-1,3-thiazolidine 1-oxide?
The InChIKey is QMJWLZYVHWHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-5-2-3-7(6)4-5/h2-4H2,1H3.
What are the key properties of 3-methyl-1,3-thiazolidine 1-oxide?
3-methyl-1,3-thiazolidine 1-oxide has a molecular weight of 119.19 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 58967535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).