2,3,5-trimethyl-1,2,5-thiadiazolidine

C5H12N2S — CID 146392819

IUPAC2,3,5-trimethyl-1,2,5-thiadiazolidine
SMILESCC1CN(C)SN1C
InChIInChI=1S/C5H12N2S/c1-5-4-6(2)8-7(5)3/h5H,4H2,1-3H3
InChIKeyVVWIIUAMRHPMQI-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.82
Rot. Bonds

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

2,3,5-trimethyl-1,2,5-thiadiazolidine (PubChem CID 146392819) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,3,5-trimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1,2,5-thiadiazolidine
PubChem CID146392819
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,3,5-trimethyl-1,2,5-thiadiazolidine
SMILESCC1CN(C)SN1C
InChIInChI=1S/C5H12N2S/c1-5-4-6(2)8-7(5)3/h5H,4H2,1-3H3
InChIKeyVVWIIUAMRHPMQI-UHFFFAOYSA-N
XLogP0.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.82
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 2,3,5-trimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 2,3,5-trimethyl-1,2,5-thiadiazolidine (CID 146392819) is 2,3,5-trimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2,3,5-trimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2,3,5-trimethyl-1,2,5-thiadiazolidine is CC1CN(C)SN1C.
What is the InChIKey of 2,3,5-trimethyl-1,2,5-thiadiazolidine?
The InChIKey is VVWIIUAMRHPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5-4-6(2)8-7(5)3/h5H,4H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-1,2,5-thiadiazolidine?
2,3,5-trimethyl-1,2,5-thiadiazolidine has a molecular weight of 132.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 146392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).