2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide

C7H15NO2S — CID 89049545

IUPAC2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1C(C)(C)CCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-8-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyARRZTRTYNZXRFQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds1

About 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide

2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 89049545) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID89049545
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1C(C)(C)CCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-8-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyARRZTRTYNZXRFQ-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propylsulfonylpyrrolidine
CID 303057
1-(Ethylsulfonyl)-3-(fluoromethyl)pyrrolidine
CID 122244988
(3S)-1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
CID 129529410
(3R)-1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
CID 129529411
1-Ethylsulfonylpyrrolidine
CID 4387144
2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528
2-(2-Methylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 10773654
2-Propyl-1,2-thiazolidine 1,1-dioxide
CID 10820899
2-Ethylisothiazolidine 1,1-dioxide
CID 10844546
2,3-Dimethyl-1,2-thiazolidine 1,1-dioxide
CID 14067924
2-Methylisothiazolidine 1,1-dioxide
CID 15577564
1-Propan-2-ylsulfonylpyrrolidine
CID 15646437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide (CID 89049545) is 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide is CCN1C(C)(C)CCS1(=O)=O.
What is the InChIKey of 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ARRZTRTYNZXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-8-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3.
What are the key properties of 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide?
2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 89049545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).