2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C8H17NO2S — CID 58814986

IUPAC2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(C(C)C)S1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-9-6-5-8(7(2)3)12(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUAIHIQXXBAVMLP-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds2

About 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide

2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 58814986) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID58814986
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(C(C)C)S1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-9-6-5-8(7(2)3)12(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUAIHIQXXBAVMLP-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
1-[(2-Cyclopentylethyl)sulfonyl]pyrrolidine
CID 124222729
1-Butylsulfonylpyrrolidine
CID 303063
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide
CID 163645968
1-(Cyclohexylmethylsulfonyl)pyrrolidine
CID 62732740
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
(3R,4S)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 132267611
(3S)-3-ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 144443407
(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
CID 175876212
1-Ethylsulfonyl-3-methylpiperidine
CID 303056

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 58814986) is 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CCN1CCC(C(C)C)S1(=O)=O.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is UAIHIQXXBAVMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-9-6-5-8(7(2)3)12(9,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58814986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).