methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate

C13H17NO3S — CID 65171376

IUPACmethyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCC(c2cccc(OC)c2)N1
InChIInChI=1S/C13H17NO3S/c1-16-10-5-3-4-9(6-10)11-7-18-8-12(14-11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyKJXDSHARLOEJTH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.61
Rot. Bonds3

About methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate

methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate (PubChem CID 65171376) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
PubChem CID65171376
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCC(c2cccc(OC)c2)N1
InChIInChI=1S/C13H17NO3S/c1-16-10-5-3-4-9(6-10)11-7-18-8-12(14-11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyKJXDSHARLOEJTH-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[3-(trifluoromethyl)phenyl]thiomorpholine-3-carboxylate
CID 65171178
methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate
CID 65171527
methyl 5-thiophen-2-ylthiomorpholine-3-carboxylate
CID 65171078
methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
CID 96530313
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
methyl 5-(2,5-difluorophenyl)thiomorpholine-3-carboxylate
CID 65170875
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
methyl 5-(5-bromo-2-fluorophenyl)thiomorpholine-3-carboxylate
CID 82972948
methyl (3R,5S)-5-methylthiomorpholine-3-carboxylate
CID 12858816
methyl (2S,5R)-5-(3-chlorophenyl)pyrrolidine-2-carboxylate
CID 67256593
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate?
The IUPAC name of methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate (CID 65171376) is methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate?
The canonical SMILES for methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate is COC(=O)C1CSCC(c2cccc(OC)c2)N1.
What is the InChIKey of methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate?
The InChIKey is KJXDSHARLOEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-16-10-5-3-4-9(6-10)11-7-18-8-12(14-11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3.
What are the key properties of methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate?
methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 65171376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).