methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate

C13H17NO4S2 — CID 78926687

IUPACmethyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CSCc2cccs2)CCO1
InChIInChI=1S/C13H17NO4S2/c1-17-13(16)11-7-14(4-5-18-11)12(15)9-19-8-10-3-2-6-20-10/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyUJMMTALTSBKPKM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.38
Rot. Bonds5

About methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate (PubChem CID 78926687) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
PubChem CID78926687
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC Namemethyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CSCc2cccs2)CCO1
InChIInChI=1S/C13H17NO4S2/c1-17-13(16)11-7-14(4-5-18-11)12(15)9-19-8-10-3-2-6-20-10/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyUJMMTALTSBKPKM-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
CID 78927122
methyl 4-hydroxy-1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylate
CID 115971009
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
methyl 4-[2-(4-bromophenyl)sulfanylacetyl]morpholine-2-carboxylate
CID 78926878
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]azetidin-3-yl]propanoic acid
CID 116681342
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate (CID 78926687) is methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CSCc2cccs2)CCO1.
What is the InChIKey of methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate?
The InChIKey is UJMMTALTSBKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S2/c1-17-13(16)11-7-14(4-5-18-11)12(15)9-19-8-10-3-2-6-20-10/h2-3,6,11H,4-5,7-9H2,1H3.
What are the key properties of methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).