methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate

C11H15NO5S2 — CID 95284121

IUPACmethyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)o1
InChIInChI=1S/C11H15NO5S2/c1-8-7-12(5-6-18-8)19(14,15)10-4-3-9(17-10)11(13)16-2/h3-4,8H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyAZUMXPFAGJGACP-QMMMGPOBSA-N
MW305.38 g/mol
LogP1.19
Rot. Bonds3

About methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate

methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate (PubChem CID 95284121) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate
PubChem CID95284121
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)o1
InChIInChI=1S/C11H15NO5S2/c1-8-7-12(5-6-18-8)19(14,15)10-4-3-9(17-10)11(13)16-2/h3-4,8H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyAZUMXPFAGJGACP-QMMMGPOBSA-N
XLogP1.19
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate (CID 95284121) is methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)o1.
What is the InChIKey of methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate?
The InChIKey is AZUMXPFAGJGACP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-8-7-12(5-6-18-8)19(14,15)10-4-3-9(17-10)11(13)16-2/h3-4,8H,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate?
methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 95284121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).