1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone

C16H18OS — CID 107176367

IUPAC1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H18OS/c1-16(2)9-5-7-13(16)15(17)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13H,5,7,9H2,1-2H3
InChIKeyDGGWADYQOMJXDN-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.91
Rot. Bonds2

About 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone

1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176367) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176367
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H18OS/c1-16(2)9-5-7-13(16)15(17)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13H,5,7,9H2,1-2H3
InChIKeyDGGWADYQOMJXDN-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl(oxolan-2-yl)methanone
CID 43161875
1-benzothiophen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783963
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
1-benzothiophen-3-yl(oxan-3-yl)methanone
CID 63012531
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
2-(1-benzothiophene-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391837
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
1-benzothiophen-3-yl-[(4R)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]methanone
CID 125143781
1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone
CID 122135983
1-[1-benzothiophene-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540233

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone (CID 107176367) is 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is DGGWADYQOMJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-16(2)9-5-7-13(16)15(17)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13H,5,7,9H2,1-2H3.
What are the key properties of 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone?
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 258.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).