2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone

C14H17NO2S — CID 43415901

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCCC(O)C1
InChIInChI=1S/C14H17NO2S/c16-11-5-3-7-15(9-11)14(17)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,11,13,16H,3,5,7-9H2
InChIKeyOCSBVGZYHNKFJN-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.69
Rot. Bonds1

About 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone

2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43415901) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43415901
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCCC(O)C1
InChIInChI=1S/C14H17NO2S/c16-11-5-3-7-15(9-11)14(17)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,11,13,16H,3,5,7-9H2
InChIKeyOCSBVGZYHNKFJN-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917621
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]methanone
CID 124739031
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727500
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95569108
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759137
3,9-diazabicyclo[4.2.1]nonan-3-yl(2,3-dihydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119637410
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286595
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874816
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95341952
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564492
2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone
CID 134040086

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone (CID 43415901) is 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone is O=C(C1Cc2ccccc2S1)N1CCCC(O)C1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is OCSBVGZYHNKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-11-5-3-7-15(9-11)14(17)13-8-10-4-1-2-6-12(10)18-13/h1-2,4,6,11,13,16H,3,5,7-9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone?
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43415901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).