3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane

C5H14N2O2S — CID 156897810

IUPAC3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane
SMILESC.CC1(C)CNS(=O)(=O)N1
InChIInChI=1S/C4H10N2O2S.CH4/c1-4(2)3-5-9(7,8)6-4;/h5-6H,3H2,1-2H3;1H4
InChIKeyAHQACJNSMLYLPT-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.16
Rot. Bonds

About 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane

3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane (PubChem CID 156897810) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane.

Molecular Properties

Compound Name3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane
PubChem CID156897810
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane
SMILESC.CC1(C)CNS(=O)(=O)N1
InChIInChI=1S/C4H10N2O2S.CH4/c1-4(2)3-5-9(7,8)6-4;/h5-6H,3H2,1-2H3;1H4
InChIKeyAHQACJNSMLYLPT-UHFFFAOYSA-N
XLogP-0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane?
The IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane (CID 156897810) is 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane.
What is the SMILES notation for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane?
The canonical SMILES for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane is C.CC1(C)CNS(=O)(=O)N1.
What is the InChIKey of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane?
The InChIKey is AHQACJNSMLYLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.CH4/c1-4(2)3-5-9(7,8)6-4;/h5-6H,3H2,1-2H3;1H4.
What are the key properties of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane?
3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane has a molecular weight of 166.25 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane is sourced from PubChem (CID 156897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).