3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide

C6H13NO3S — CID 174154351

IUPAC3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCOCC1CCS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-7-6(5-10-2)3-4-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyIXKPEFMNBFTAMX-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.33
Rot. Bonds2

About 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide

3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 174154351) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID174154351
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCOCC1CCS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-7-6(5-10-2)3-4-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyIXKPEFMNBFTAMX-UHFFFAOYSA-N
XLogP-0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide (CID 174154351) is 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide is COCC1CCS(=O)(=O)N1C.
What is the InChIKey of 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IXKPEFMNBFTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-7-6(5-10-2)3-4-11(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 179.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 174154351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).