4-(methoxymethyl)-3-methyloxathiazolidine

C5H11NO2S — CID 129136472

IUPAC4-(methoxymethyl)-3-methyloxathiazolidine
SMILESCOCC1COSN1C
InChIInChI=1S/C5H11NO2S/c1-6-5(3-7-2)4-8-9-6/h5H,3-4H2,1-2H3
InChIKeyGBJBRJGOEHAHHQ-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.53
Rot. Bonds2

About 4-(methoxymethyl)-3-methyloxathiazolidine

4-(methoxymethyl)-3-methyloxathiazolidine (PubChem CID 129136472) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-methyloxathiazolidine.

Molecular Properties

Compound Name4-(methoxymethyl)-3-methyloxathiazolidine
PubChem CID129136472
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name4-(methoxymethyl)-3-methyloxathiazolidine
SMILESCOCC1COSN1C
InChIInChI=1S/C5H11NO2S/c1-6-5(3-7-2)4-8-9-6/h5H,3-4H2,1-2H3
InChIKeyGBJBRJGOEHAHHQ-UHFFFAOYSA-N
XLogP0.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-methyloxathiazolidine?
The IUPAC name of 4-(methoxymethyl)-3-methyloxathiazolidine (CID 129136472) is 4-(methoxymethyl)-3-methyloxathiazolidine.
What is the SMILES notation for 4-(methoxymethyl)-3-methyloxathiazolidine?
The canonical SMILES for 4-(methoxymethyl)-3-methyloxathiazolidine is COCC1COSN1C.
What is the InChIKey of 4-(methoxymethyl)-3-methyloxathiazolidine?
The InChIKey is GBJBRJGOEHAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-5(3-7-2)4-8-9-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-3-methyloxathiazolidine?
4-(methoxymethyl)-3-methyloxathiazolidine has a molecular weight of 149.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-methyloxathiazolidine is sourced from PubChem (CID 129136472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).