methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate

C10H11NO2S — CID 143273258

IUPACmethyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)SCC2N
InChIInChI=1S/C10H11NO2S/c1-13-10(12)6-2-3-7-8(11)5-14-9(7)4-6/h2-4,8H,5,11H2,1H3
InChIKeyNMICDQCOHFLQJB-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.58
Rot. Bonds1

About methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate

methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate (PubChem CID 143273258) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate
PubChem CID143273258
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namemethyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)SCC2N
InChIInChI=1S/C10H11NO2S/c1-13-10(12)6-2-3-7-8(11)5-14-9(7)4-6/h2-4,8H,5,11H2,1H3
InChIKeyNMICDQCOHFLQJB-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
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methyl (4S)-4-amino-3,4-dihydro-1H-isochromene-6-carboxylate
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methyl 3,4-dihydro-2H-thiochromene-7-carboxylate
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methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzothiazepine-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate?
The IUPAC name of methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate (CID 143273258) is methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate.
What is the SMILES notation for methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate?
The canonical SMILES for methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate is COC(=O)c1ccc2c(c1)SCC2N.
What is the InChIKey of methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate?
The InChIKey is NMICDQCOHFLQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-10(12)6-2-3-7-8(11)5-14-9(7)4-6/h2-4,8H,5,11H2,1H3.
What are the key properties of methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate?
methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate is sourced from PubChem (CID 143273258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).