methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate

C15H17NO4S — CID 78993491

IUPACmethyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2CSc3ccccc32)CCO1
InChIInChI=1S/C15H17NO4S/c1-19-15(18)12-8-16(6-7-20-12)14(17)11-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3
InChIKeyQFRKOGJAXXKFLB-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.28
Rot. Bonds2

About methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate

methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate (PubChem CID 78993491) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate
PubChem CID78993491
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Namemethyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2CSc3ccccc32)CCO1
InChIInChI=1S/C15H17NO4S/c1-19-15(18)12-8-16(6-7-20-12)14(17)11-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3
InChIKeyQFRKOGJAXXKFLB-UHFFFAOYSA-N
XLogP1.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79993486
[(3S)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanone
CID 124516146
(3-aminopiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79213096
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
methyl (2R)-4-[(2R)-1-benzylpyrrolidine-2-carbonyl]morpholine-2-carboxylate
CID 124527886
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
CID 79209422
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate (CID 78993491) is methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)C2CSc3ccccc32)CCO1.
What is the InChIKey of methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is QFRKOGJAXXKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-15(18)12-8-16(6-7-20-12)14(17)11-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3.
What are the key properties of methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 78993491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).