methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate

C8H15NO2S — CID 67755279

IUPACmethyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSCC(C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-4-12-5-7(9(6)2)8(10)11-3/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyXBYUZSMMOZFXEE-MLWJPKLSSA-N
MW189.28 g/mol
LogP0.60
Rot. Bonds1

About methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate

methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate (PubChem CID 67755279) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
PubChem CID67755279
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSCC(C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-4-12-5-7(9(6)2)8(10)11-3/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyXBYUZSMMOZFXEE-MLWJPKLSSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate?
The IUPAC name of methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate (CID 67755279) is methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate.
What is the SMILES notation for methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate?
The canonical SMILES for methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate is COC(=O)[C@@H]1CSCC(C)N1C.
What is the InChIKey of methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate?
The InChIKey is XBYUZSMMOZFXEE-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-4-12-5-7(9(6)2)8(10)11-3/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate?
methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate is sourced from PubChem (CID 67755279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).