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

C13H16OS — CID 115811385

IUPACcyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)C1CCC1
InChIInChI=1S/C13H16OS/c14-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)15-12/h8-9H,1-7H2
InChIKeyONXNGHSISJFSMN-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.61
Rot. Bonds2

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

cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 115811385) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID115811385
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Namecyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)C1CCC1
InChIInChI=1S/C13H16OS/c14-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)15-12/h8-9H,1-7H2
InChIKeyONXNGHSISJFSMN-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114962155
(3-methylsulfonylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115785817
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115783913
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methanone
CID 114973783
pyrrolidin-1-yl-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 55527772
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 115811385) is cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)C1CCC1.
What is the InChIKey of cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is ONXNGHSISJFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c14-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)15-12/h8-9H,1-7H2.
What are the key properties of cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 220.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 115811385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).