2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide

C3H9N2OS+ — CID 143050851

IUPAC2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide
SMILESC[NH+]1CCNS1=O
InChIInChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3/p+1
InChIKeyLSPQMGOYMAAXJU-UHFFFAOYSA-O
MW121.19 g/mol
LogP-2.32
Rot. Bonds

About 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide

2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide (PubChem CID 143050851) has the molecular formula C3H9N2OS+ and a molecular weight of 121.19 g/mol. Its IUPAC name is 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide.

Molecular Properties

Compound Name2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide
PubChem CID143050851
Molecular FormulaC3H9N2OS+
Molecular Weight121.19 g/mol
Exact Mass121.04
IUPAC Name2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide
SMILESC[NH+]1CCNS1=O
InChIInChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3/p+1
InChIKeyLSPQMGOYMAAXJU-UHFFFAOYSA-O
XLogP-2.32
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.19
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide?
The IUPAC name of 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide (CID 143050851) is 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide.
What is the SMILES notation for 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide?
The canonical SMILES for 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide is C[NH+]1CCNS1=O.
What is the InChIKey of 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide?
The InChIKey is LSPQMGOYMAAXJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3/p+1.
What are the key properties of 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide?
2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide has a molecular weight of 121.19 g/mol, XLogP of -2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,5-thiadiazolidin-2-ium 1-oxide is sourced from PubChem (CID 143050851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).