2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 58573153

IUPAC2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](CN1CCCS1(=O)=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-10(11(2,3)4)9-12-7-6-8-15(12,13)14/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyTYIVOAQTHVZZSE-JTQLQIEISA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds3

About 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide

2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 58573153) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID58573153
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](CN1CCCS1(=O)=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-10(11(2,3)4)9-12-7-6-8-15(12,13)14/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyTYIVOAQTHVZZSE-JTQLQIEISA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.09
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
2-Butylsulfonyl-2-azaspiro[4.4]nonane
CID 75422623
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
CID 143480644
1-(4,4-Dimethylpentylsulfonyl)-3-fluoro-3-methylpyrrolidine
CID 167540336
(1,1,4-Trimethylpyrrolidin-3-yl)methanesulfonic acid
CID 3798667
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)pentane-1-sulfonamide
CID 18735825
N-(4,4-dimethylpentyl)-N-propylpropane-1-sulfonamide
CID 18735964
2,3,3,4,4,5,5-Heptamethyl-1,2-thiazolidine 1,1-dioxide
CID 20720085
3-Tert-butyl-1-methylsulfonylpyrrolidine
CID 20792959
(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 57006874
(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 57279367

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide (CID 58573153) is 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide is CC[C@@H](CN1CCCS1(=O)=O)C(C)(C)C.
What is the InChIKey of 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is TYIVOAQTHVZZSE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-10(11(2,3)4)9-12-7-6-8-15(12,13)14/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide?
2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58573153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).