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

C4H10N2S — CID 13001184

IUPAC2,5-dimethyl-1,2,5-thiadiazolidine
SMILESCN1CCN(C)S1
InChIInChI=1S/C4H10N2S/c1-5-3-4-6(2)7-5/h3-4H2,1-2H3
InChIKeyNFYVJZXXMFBFRZ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.43
Rot. Bonds

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

2,5-dimethyl-1,2,5-thiadiazolidine (PubChem CID 13001184) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 2,5-dimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2,5-dimethyl-1,2,5-thiadiazolidine
PubChem CID13001184
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name2,5-dimethyl-1,2,5-thiadiazolidine
SMILESCN1CCN(C)S1
InChIInChI=1S/C4H10N2S/c1-5-3-4-6(2)7-5/h3-4H2,1-2H3
InChIKeyNFYVJZXXMFBFRZ-UHFFFAOYSA-N
XLogP0.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 2,5-dimethyl-1,2,5-thiadiazolidine (CID 13001184) is 2,5-dimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2,5-dimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2,5-dimethyl-1,2,5-thiadiazolidine is CN1CCN(C)S1.
What is the InChIKey of 2,5-dimethyl-1,2,5-thiadiazolidine?
The InChIKey is NFYVJZXXMFBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-5-3-4-6(2)7-5/h3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,2,5-thiadiazolidine?
2,5-dimethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 13001184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).