2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid

C9H17NO3S — CID 80500615

IUPAC2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCOCCC1(C)NC(C(=O)O)CCS1
InChIInChI=1S/C9H17NO3S/c1-9(4-5-13-2)10-7(8(11)12)3-6-14-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUFKABQXVLCJIOU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid

2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid (PubChem CID 80500615) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
PubChem CID80500615
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCOCCC1(C)NC(C(=O)O)CCS1
InChIInChI=1S/C9H17NO3S/c1-9(4-5-13-2)10-7(8(11)12)3-6-14-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUFKABQXVLCJIOU-UHFFFAOYSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid (CID 80500615) is 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid is COCCC1(C)NC(C(=O)O)CCS1.
What is the InChIKey of 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is UFKABQXVLCJIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(4-5-13-2)10-7(8(11)12)3-6-14-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid?
2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 219.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 80500615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).