2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C10H14N2O3S — CID 117003016

IUPAC2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCOc1ccccc1N1CCNS1(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-2-15-10-6-4-3-5-9(10)12-8-7-11-16(12,13)14/h3-6,11H,2,7-8H2,1H3
InChIKeyJVOUEMTUNFQYFY-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.74
Rot. Bonds3

About 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117003016) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117003016
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCOc1ccccc1N1CCNS1(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-2-15-10-6-4-3-5-9(10)12-8-7-11-16(12,13)14/h3-6,11H,2,7-8H2,1H3
InChIKeyJVOUEMTUNFQYFY-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003072
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-(2-ethoxyphenyl)-2,2-dimethyl-1,5-diazocane
CID 117014837
2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82088679
5-(deuteriomethyl)-1-(2-ethoxyphenyl)pyridin-2-one
CID 141240580
1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
CID 54973542
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 9069022

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117003016) is 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is CCOc1ccccc1N1CCNS1(=O)=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is JVOUEMTUNFQYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-15-10-6-4-3-5-9(10)12-8-7-11-16(12,13)14/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 242.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117003016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).