4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium

C7H16NO2S+ — CID 143944755

IUPAC4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium
SMILESCOC(OC)C1CSC(C)[NH2+]1
InChIInChI=1S/C7H15NO2S/c1-5-8-6(4-11-5)7(9-2)10-3/h5-8H,4H2,1-3H3/p+1
InChIKeyJZQVKXXVSCJMLD-UHFFFAOYSA-O
MW178.28 g/mol
LogP-0.37
Rot. Bonds3

About 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium

4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium (PubChem CID 143944755) has the molecular formula C7H16NO2S+ and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium
PubChem CID143944755
Molecular FormulaC7H16NO2S+
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium
SMILESCOC(OC)C1CSC(C)[NH2+]1
InChIInChI=1S/C7H15NO2S/c1-5-8-6(4-11-5)7(9-2)10-3/h5-8H,4H2,1-3H3/p+1
InChIKeyJZQVKXXVSCJMLD-UHFFFAOYSA-O
XLogP-0.37
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethoxymethyl)-1,3-thiazolidine
CID 19430508
4-(Dimethoxymethyl)-2,2-dimethyl-1,3-thiazolidine
CID 59229130
2-(2,2-Dimethoxyethyl)-2-methyl-1,3-thiazolidine
CID 71365937
(2R)-N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
CID 88958933
N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
CID 112704508
(4S)-4-[di(propan-2-yloxy)methyl]-2,2-dimethyl-1,3-thiazolidine
CID 117871263
4-[Di(propan-2-yloxy)methyl]-2,2-dimethyl-1,3-thiazolidine
CID 117871265
Ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol
CID 163979792
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
1,1-dimethoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 64386128
N-(1,1-dimethoxypropan-2-yl)thiolan-3-amine
CID 64386140
1,1-dimethoxy-N-(2-methylsulfanylethyl)propan-2-amine
CID 64389148

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium?
The IUPAC name of 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium (CID 143944755) is 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium.
What is the SMILES notation for 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium?
The canonical SMILES for 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium is COC(OC)C1CSC(C)[NH2+]1.
What is the InChIKey of 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium?
The InChIKey is JZQVKXXVSCJMLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO2S/c1-5-8-6(4-11-5)7(9-2)10-3/h5-8H,4H2,1-3H3/p+1.
What are the key properties of 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium?
4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium has a molecular weight of 178.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium is sourced from PubChem (CID 143944755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).