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

C3H8N2O2S — CID 10261144

IUPAC3-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CNS(=O)(=O)N1
InChIInChI=1S/C3H8N2O2S/c1-3-2-4-8(6,7)5-3/h3-5H,2H2,1H3
InChIKeyLDBZXPJZSSCCPW-UHFFFAOYSA-N
MW136.18 g/mol
LogP-1.19
Rot. Bonds

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

3-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 10261144) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID10261144
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC Name3-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CNS(=O)(=O)N1
InChIInChI=1S/C3H8N2O2S/c1-3-2-4-8(6,7)5-3/h3-5H,2H2,1H3
InChIKeyLDBZXPJZSSCCPW-UHFFFAOYSA-N
XLogP-1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 10261144) is 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide is CC1CNS(=O)(=O)N1.
What is the InChIKey of 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is LDBZXPJZSSCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-3-2-4-8(6,7)5-3/h3-5H,2H2,1H3.
What are the key properties of 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
3-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 136.18 g/mol, XLogP of -1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 10261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).