methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate

C15H17NO3S — CID 115670568

IUPACmethyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1csc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-18-15(17)13-9-19-7-6-16(13)8-11-10-20-14-5-3-2-4-12(11)14/h2-5,10,13H,6-9H2,1H3
InChIKeyCXKPYKWARIHGBP-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.28
Rot. Bonds3

About methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate

methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate (PubChem CID 115670568) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
PubChem CID115670568
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1csc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-18-15(17)13-9-19-7-6-16(13)8-11-10-20-14-5-3-2-4-12(11)14/h2-5,10,13H,6-9H2,1H3
InChIKeyCXKPYKWARIHGBP-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-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

2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
CID 115688127
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
methyl 4-[(2-bromo-4-nitrophenyl)methyl]morpholine-3-carboxylate
CID 104775034
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-3-carboxylate
CID 115670474

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate (CID 115670568) is methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1csc2ccccc12.
What is the InChIKey of methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate?
The InChIKey is CXKPYKWARIHGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-15(17)13-9-19-7-6-16(13)8-11-10-20-14-5-3-2-4-12(11)14/h2-5,10,13H,6-9H2,1H3.
What are the key properties of methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate?
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).