1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

C13H16OS — CID 167637225

IUPAC1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1cc2c(s1)CCCC2)C1CC1
InChIInChI=1S/C13H16OS/c14-12(9-5-6-9)8-11-7-10-3-1-2-4-13(10)15-11/h7,9H,1-6,8H2
InChIKeyOQMZBLDXASWXPT-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.15
Rot. Bonds3

About 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (PubChem CID 167637225) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
PubChem CID167637225
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1cc2c(s1)CCCC2)C1CC1
InChIInChI=1S/C13H16OS/c14-12(9-5-6-9)8-11-7-10-3-1-2-4-13(10)15-11/h7,9H,1-6,8H2
InChIKeyOQMZBLDXASWXPT-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 147453970
cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115811385
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
CID 61207061
cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114962155
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
2-(ethylamino)-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanoic acid
CID 83985464
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 116677059

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (CID 167637225) is 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is O=C(Cc1cc2c(s1)CCCC2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The InChIKey is OQMZBLDXASWXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c14-12(9-5-6-9)8-11-7-10-3-1-2-4-13(10)15-11/h7,9H,1-6,8H2.
What are the key properties of 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone has a molecular weight of 220.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 167637225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).