3,3-dimethyl-1,2,5-thiadiazolidine

C4H10N2S — CID 56990736

IUPAC3,3-dimethyl-1,2,5-thiadiazolidine
SMILESCC1(C)CNSN1
InChIInChI=1S/C4H10N2S/c1-4(2)3-5-7-6-4/h5-6H,3H2,1-2H3
InChIKeyWVEYTRRROJZPLN-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.52
Rot. Bonds

About 3,3-dimethyl-1,2,5-thiadiazolidine

3,3-dimethyl-1,2,5-thiadiazolidine (PubChem CID 56990736) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 3,3-dimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name3,3-dimethyl-1,2,5-thiadiazolidine
PubChem CID56990736
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name3,3-dimethyl-1,2,5-thiadiazolidine
SMILESCC1(C)CNSN1
InChIInChI=1S/C4H10N2S/c1-4(2)3-5-7-6-4/h5-6H,3H2,1-2H3
InChIKeyWVEYTRRROJZPLN-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethyl-1lambda~6~,2,5-thiadiazolidine-1,1-dione
CID 10261248
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
3-Methyl-1,2,5-thiadiazolidine
CID 68099549
2-Tert-butyl-1,2,5-thiadiazolidine
CID 118697787
Ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide
CID 142237942
(3R)-3-methyl-1,2,5-thiadiazolidine
CID 145737879
3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;methane
CID 156897810

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine (CID 56990736) is 3,3-dimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 3,3-dimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 3,3-dimethyl-1,2,5-thiadiazolidine is CC1(C)CNSN1.
What is the InChIKey of 3,3-dimethyl-1,2,5-thiadiazolidine?
The InChIKey is WVEYTRRROJZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4(2)3-5-7-6-4/h5-6H,3H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2,5-thiadiazolidine?
3,3-dimethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 56990736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).