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

C6H10N2O2S — CID 89442139

IUPAC3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESC#CC1CN(C)S(=O)(=O)N1C
InChIInChI=1S/C6H10N2O2S/c1-4-6-5-7(2)11(9,10)8(6)3/h1,6H,5H2,2-3H3
InChIKeyYRYVQPSJXUENRG-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.89
Rot. Bonds

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

3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 89442139) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID89442139
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESC#CC1CN(C)S(=O)(=O)N1C
InChIInChI=1S/C6H10N2O2S/c1-4-6-5-7(2)11(9,10)8(6)3/h1,6H,5H2,2-3H3
InChIKeyYRYVQPSJXUENRG-UHFFFAOYSA-N
XLogP-0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1,3-dimethylimidazolidin-2-one
CID 88889577
4-ethynyl-2-methyl-1-sulfanylidene-1,2-thiazolidine 1-oxide
CID 89442160
4-ethynyl-2-methyl-1-sulfanylidenethiazinane 1-oxide
CID 88889632
4-ethynyl-2,6-dimethyl-1,1-bis(sulfanylidene)-1,2,6-thiadiazinane
CID 89446157
4-ethynyl-1-methylazetidin-2-one
CID 59755737
5-ethynyl-2-methylthiazinane 1,1-dioxide
CID 89442289
2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
CID 59417812
4-ethynyl-1,3-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine
CID 88890131
3-ethynyl-1-methylpyrrolidine
CID 89319838
6-ethynyl-1-methylpiperidine-3-carbonitrile
CID 123979955
(2S,5R)-5-ethynyl-1-methylpyrrolidine-2-carbonitrile
CID 59683652
4-ethynyl-3-methyl-1,3-oxazinan-2-one
CID 89442280

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 89442139) is 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide is C#CC1CN(C)S(=O)(=O)N1C.
What is the InChIKey of 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is YRYVQPSJXUENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-4-6-5-7(2)11(9,10)8(6)3/h1,6H,5H2,2-3H3.
What are the key properties of 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 174.22 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 89442139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).