2,3,4-trimethyl-1,2,5-thiadiazolidine

C5H12N2S — CID 20583495

IUPAC2,3,4-trimethyl-1,2,5-thiadiazolidine
SMILESCC1NSN(C)C1C
InChIInChI=1S/C5H12N2S/c1-4-5(2)7(3)8-6-4/h4-6H,1-3H3
InChIKeyNXMWDOLTOTUAHS-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.86
Rot. Bonds

About 2,3,4-trimethyl-1,2,5-thiadiazolidine

2,3,4-trimethyl-1,2,5-thiadiazolidine (PubChem CID 20583495) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,3,4-trimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2,3,4-trimethyl-1,2,5-thiadiazolidine
PubChem CID20583495
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,3,4-trimethyl-1,2,5-thiadiazolidine
SMILESCC1NSN(C)C1C
InChIInChI=1S/C5H12N2S/c1-4-5(2)7(3)8-6-4/h4-6H,1-3H3
InChIKeyNXMWDOLTOTUAHS-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 19873535
4-Amino-1,2-dimethylpyrazolidine
CID 20226460
2,3,4,5-Tetramethyl-1,2,5-thiadiazolidine
CID 20583494
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
copper 2-N,3-N-dimethylbutane-2,3-diamine
CID 57568756
2-Cyclopropyl-1,2,5-thiadiazolidine
CID 69348749
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
N-pyrrolidin-1-ylsulfanylpropan-2-amine
CID 88266039
N-methyl-N-pyrrolidin-3-ylthiohydroxylamine
CID 88966938
N-pyrrolidin-3-ylthiohydroxylamine
CID 88967029
4-Methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89038662
(4R)-2-ethyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89168309

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 2,3,4-trimethyl-1,2,5-thiadiazolidine (CID 20583495) is 2,3,4-trimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2,3,4-trimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2,3,4-trimethyl-1,2,5-thiadiazolidine is CC1NSN(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-1,2,5-thiadiazolidine?
The InChIKey is NXMWDOLTOTUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4-5(2)7(3)8-6-4/h4-6H,1-3H3.
What are the key properties of 2,3,4-trimethyl-1,2,5-thiadiazolidine?
2,3,4-trimethyl-1,2,5-thiadiazolidine has a molecular weight of 132.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 20583495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).