2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 58573599

IUPAC2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(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
InChIKeyTYIVOAQTHVZZSE-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds3

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

2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58573599) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58573599
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(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
InChIKeyTYIVOAQTHVZZSE-UHFFFAOYSA-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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
2-[(2S)-2-isocyanato-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide
CID 59551220
1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 112560169
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115752044
2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 64995065
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
4-[2-(1,1-dioxothiazinan-2-yl)ethyl]-5,5-dimethylhexanoic acid
CID 116814458
(2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol
CID 159154539
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-1-ol
CID 106145959
3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol
CID 106116980
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 47235152

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide (CID 58573599) is 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide is CCC(CN1CCCS1(=O)=O)C(C)(C)C.
What is the InChIKey of 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is TYIVOAQTHVZZSE-UHFFFAOYSA-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.
What are the key properties of 2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide?
2-(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-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58573599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).