2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C15H19NO2S — CID 115874816

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2Cc3ccccc3S2)C1
InChIInChI=1S/C15H19NO2S/c1-15(18)7-4-8-16(10-15)14(17)13-9-11-5-2-3-6-12(11)19-13/h2-3,5-6,13,18H,4,7-10H2,1H3
InChIKeyFVMPKIFAKPKPGG-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.08
Rot. Bonds1

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

2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874816) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874816
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2Cc3ccccc3S2)C1
InChIInChI=1S/C15H19NO2S/c1-15(18)7-4-8-16(10-15)14(17)13-9-11-5-2-3-6-12(11)19-13/h2-3,5-6,13,18H,4,7-10H2,1H3
InChIKeyFVMPKIFAKPKPGG-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 43415901
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564492
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
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759137
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720284
8-(2,3-dihydro-1-benzothiophene-2-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 72883096
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 99929653
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364209
[4-(2-chloroethyl)piperazin-1-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 79206104
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727500

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874816) is 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)C2Cc3ccccc3S2)C1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is FVMPKIFAKPKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(18)7-4-8-16(10-15)14(17)13-9-11-5-2-3-6-12(11)19-13/h2-3,5-6,13,18H,4,7-10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 277.39 g/mol, XLogP of 2.08, 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-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).