2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]

C12H17NO2S — CID 173098531

IUPAC2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESOS1(O)Cc2ccccc2C12CCNCC2
InChIInChI=1S/C12H17NO2S/c14-16(15)9-10-3-1-2-4-11(10)12(16)5-7-13-8-6-12/h1-4,13-15H,5-9H2
InChIKeyCBUGBUTYVXSSNJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.53
Rot. Bonds

About 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]

2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine] (PubChem CID 173098531) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine].

Molecular Properties

Compound Name2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]
PubChem CID173098531
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESOS1(O)Cc2ccccc2C12CCNCC2
InChIInChI=1S/C12H17NO2S/c14-16(15)9-10-3-1-2-4-11(10)12(16)5-7-13-8-6-12/h1-4,13-15H,5-9H2
InChIKeyCBUGBUTYVXSSNJ-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
spiro[1H-naphthalene-4,4'-piperidine]
CID 22012177
2-methylidenespiro[1H-indene-3,4'-piperidine]
CID 176678047
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]piperidin-4-ol
CID 79136036
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
CID 68631969
(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride
CID 173201974
2-spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-ylacetamide;hydrochloride
CID 155857534
(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512047

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]?
The IUPAC name of 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine] (CID 173098531) is 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine].
What is the SMILES notation for 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]?
The canonical SMILES for 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine] is OS1(O)Cc2ccccc2C12CCNCC2.
What is the InChIKey of 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]?
The InChIKey is CBUGBUTYVXSSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-16(15)9-10-3-1-2-4-11(10)12(16)5-7-13-8-6-12/h1-4,13-15H,5-9H2.
What are the key properties of 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]?
2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine] has a molecular weight of 239.34 g/mol, XLogP of 2.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine] is sourced from PubChem (CID 173098531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).