methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate

C10H10O2S — CID 92859901

IUPACmethyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2ccccc21
InChIInChI=1S/C10H10O2S/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyWQSWAMIVBYEOJS-MRVPVSSYSA-N
MW194.25 g/mol
LogP2.05
Rot. Bonds1

About methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate

methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate (PubChem CID 92859901) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
PubChem CID92859901
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Namemethyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2ccccc21
InChIInChI=1S/C10H10O2S/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyWQSWAMIVBYEOJS-MRVPVSSYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-2,3-dihydro-1-benzothiophene-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

2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
CID 105079897
methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate
CID 78993491
2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
methyl 2-chloro-3-(2,3-dihydro-1-benzothiophene-3-carbonylamino)propanoate
CID 103492810
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 71983627
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate?
The IUPAC name of methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate (CID 92859901) is methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate.
What is the SMILES notation for methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate?
The canonical SMILES for methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate is COC(=O)[C@@H]1CSc2ccccc21.
What is the InChIKey of methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate?
The InChIKey is WQSWAMIVBYEOJS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate?
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate has a molecular weight of 194.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 92859901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).