3-methyl-1,2,5-thiadiazolidine 1-oxide

C3H8N2OS — CID 89345474

IUPAC3-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCC1CNS(=O)N1
InChIInChI=1S/C3H8N2OS/c1-3-2-4-7(6)5-3/h3-5H,2H2,1H3
InChIKeyHMECOQNVPPKWOF-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.85
Rot. Bonds

About 3-methyl-1,2,5-thiadiazolidine 1-oxide

3-methyl-1,2,5-thiadiazolidine 1-oxide (PubChem CID 89345474) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 3-methyl-1,2,5-thiadiazolidine 1-oxide.

Molecular Properties

Compound Name3-methyl-1,2,5-thiadiazolidine 1-oxide
PubChem CID89345474
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name3-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCC1CNS(=O)N1
InChIInChI=1S/C3H8N2OS/c1-3-2-4-7(6)5-3/h3-5H,2H2,1H3
InChIKeyHMECOQNVPPKWOF-UHFFFAOYSA-N
XLogP-0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,5-thiadiazolidine 1-oxide?
The IUPAC name of 3-methyl-1,2,5-thiadiazolidine 1-oxide (CID 89345474) is 3-methyl-1,2,5-thiadiazolidine 1-oxide.
What is the SMILES notation for 3-methyl-1,2,5-thiadiazolidine 1-oxide?
The canonical SMILES for 3-methyl-1,2,5-thiadiazolidine 1-oxide is CC1CNS(=O)N1.
What is the InChIKey of 3-methyl-1,2,5-thiadiazolidine 1-oxide?
The InChIKey is HMECOQNVPPKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-3-2-4-7(6)5-3/h3-5H,2H2,1H3.
What are the key properties of 3-methyl-1,2,5-thiadiazolidine 1-oxide?
3-methyl-1,2,5-thiadiazolidine 1-oxide has a molecular weight of 120.18 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,5-thiadiazolidine 1-oxide is sourced from PubChem (CID 89345474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).