methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate

C12H16N2O3S2 — CID 114915571

IUPACmethyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CSCCN1
InChIInChI=1S/C12H16N2O3S2/c1-7-5-19-10(12(16)17-2)9(7)14-11(15)8-6-18-4-3-13-8/h5,8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeySLQUMMFBCLNLOC-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.49
Rot. Bonds3

About methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate (PubChem CID 114915571) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
PubChem CID114915571
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Namemethyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CSCCN1
InChIInChI=1S/C12H16N2O3S2/c1-7-5-19-10(12(16)17-2)9(7)14-11(15)8-6-18-4-3-13-8/h5,8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeySLQUMMFBCLNLOC-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate (CID 114915571) is methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)C1CSCCN1.
What is the InChIKey of methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate?
The InChIKey is SLQUMMFBCLNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-7-5-19-10(12(16)17-2)9(7)14-11(15)8-6-18-4-3-13-8/h5,8,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate has a molecular weight of 300.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 114915571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).