2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium

C11H22N2O2S — CID 11311175

IUPAC2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium
SMILESCC1(C)[N-][C@@H](C(=O)OCC[N+](C)(C)C)CS1
InChIInChI=1S/C11H22N2O2S/c1-11(2)12-9(8-16-11)10(14)15-7-6-13(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyQYIRSRFTILGHNJ-SECBINFHSA-N
MW246.38 g/mol
LogP1.46
Rot. Bonds4

About 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium

2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium (PubChem CID 11311175) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium
PubChem CID11311175
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium
SMILESCC1(C)[N-][C@@H](C(=O)OCC[N+](C)(C)C)CS1
InChIInChI=1S/C11H22N2O2S/c1-11(2)12-9(8-16-11)10(14)15-7-6-13(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyQYIRSRFTILGHNJ-SECBINFHSA-N
XLogP1.46
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethyl-1,3-thiazolidine-4-carbonyl)oxyethyl-trimethylazanium
CID 23582199
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
2-(1,1-dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
CID 158732412
CID 158732412
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium
CID 76962904
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
CID 174427776
trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium;hydrochloride
CID 133112697
trimethyl-[2-(3-sulfanylpropanoyloxy)ethyl]azanium
CID 168758094
2-(4-chlorobutanoyloxy)ethyl-trimethylazanium
CID 90374821
CID 174726495
CID 174726495

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium (CID 11311175) is 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium is CC1(C)[N-][C@@H](C(=O)OCC[N+](C)(C)C)CS1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium?
The InChIKey is QYIRSRFTILGHNJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2)12-9(8-16-11)10(14)15-7-6-13(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium?
2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium has a molecular weight of 246.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 11311175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).