methyl (3R)-thiomorpholine-3-carboxylate

C6H11NO2S — CID 12858836

IUPACmethyl (3R)-thiomorpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSCCN1
InChIInChI=1S/C6H11NO2S/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyCYKUMLWZCRVBJA-YFKPBYRVSA-N
MW161.23 g/mol
LogP-0.14
Rot. Bonds1

About methyl (3R)-thiomorpholine-3-carboxylate

methyl (3R)-thiomorpholine-3-carboxylate (PubChem CID 12858836) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is methyl (3R)-thiomorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-thiomorpholine-3-carboxylate
PubChem CID12858836
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namemethyl (3R)-thiomorpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSCCN1
InChIInChI=1S/C6H11NO2S/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyCYKUMLWZCRVBJA-YFKPBYRVSA-N
XLogP-0.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-thiomorpholine-3-carboxylate?
The IUPAC name of methyl (3R)-thiomorpholine-3-carboxylate (CID 12858836) is methyl (3R)-thiomorpholine-3-carboxylate.
What is the SMILES notation for methyl (3R)-thiomorpholine-3-carboxylate?
The canonical SMILES for methyl (3R)-thiomorpholine-3-carboxylate is COC(=O)[C@@H]1CSCCN1.
What is the InChIKey of methyl (3R)-thiomorpholine-3-carboxylate?
The InChIKey is CYKUMLWZCRVBJA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of methyl (3R)-thiomorpholine-3-carboxylate?
methyl (3R)-thiomorpholine-3-carboxylate has a molecular weight of 161.23 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-thiomorpholine-3-carboxylate is sourced from PubChem (CID 12858836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).