cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C15H20OS — CID 114962155

IUPACcyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)C1CCCCC1
InChIInChI=1S/C15H20OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h10-11H,1-9H2
InChIKeyUULOHSLYISLFAZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.39
Rot. Bonds2

About cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 114962155) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID114962155
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Namecyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)C1CCCCC1
InChIInChI=1S/C15H20OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h10-11H,1-9H2
InChIKeyUULOHSLYISLFAZ-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115811385
(3-methylsulfonylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115785817
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115783913
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methanone
CID 114973783
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 114962155) is cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)C1CCCCC1.
What is the InChIKey of cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is UULOHSLYISLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h10-11H,1-9H2.
What are the key properties of cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 248.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 114962155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).