methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate

C12H17NO3S — CID 115670411

IUPACmethyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-15-12(14)11-9-16-7-6-13(11)5-4-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyLDVVRQINKLOXOZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.16
Rot. Bonds4

About methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate

methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate (PubChem CID 115670411) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
PubChem CID115670411
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Namemethyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-15-12(14)11-9-16-7-6-13(11)5-4-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyLDVVRQINKLOXOZ-UHFFFAOYSA-N
XLogP1.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
CID 83100391
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
methyl 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholine-3-carboxylate
CID 115670642
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl (2S,3aR,7aR)-1-(2-thiophen-2-ylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124793345
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate (CID 115670411) is methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CCc1cccs1.
What is the InChIKey of methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate?
The InChIKey is LDVVRQINKLOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-15-12(14)11-9-16-7-6-13(11)5-4-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate?
methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).