(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride

C12H16ClNOS — CID 173201974

IUPAC(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride
SMILESCl.O=[S@@]1Cc2ccccc2C12CCNCC2
InChIInChI=1S/C12H15NOS.ClH/c14-15-9-10-3-1-2-4-11(10)12(15)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H/t15-;/m1./s1
InChIKeyJKEKJDYLQOUNQO-XFULWGLBSA-N
MW257.79 g/mol
LogP1.95
Rot. Bonds

About (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride

(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride (PubChem CID 173201974) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride.

Molecular Properties

Compound Name(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride
PubChem CID173201974
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride
SMILESCl.O=[S@@]1Cc2ccccc2C12CCNCC2
InChIInChI=1S/C12H15NOS.ClH/c14-15-9-10-3-1-2-4-11(10)12(15)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H/t15-;/m1./s1
InChIKeyJKEKJDYLQOUNQO-XFULWGLBSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
CID 68631969
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
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
2,2-dihydroxyspiro[1H-2-benzothiophene-3,4'-piperidine]
CID 173098531
4-(2-aminophenyl)piperidine-4-carbaldehyde
CID 88578816
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035

Frequently Asked Questions

What is the IUPAC name of (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride?
The IUPAC name of (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride (CID 173201974) is (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride.
What is the SMILES notation for (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride?
The canonical SMILES for (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride is Cl.O=[S@@]1Cc2ccccc2C12CCNCC2.
What is the InChIKey of (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride?
The InChIKey is JKEKJDYLQOUNQO-XFULWGLBSA-N. The full InChI is InChI=1S/C12H15NOS.ClH/c14-15-9-10-3-1-2-4-11(10)12(15)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H/t15-;/m1./s1.
What are the key properties of (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride?
(2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-spiro[1H-2-benzothiophene-3,4'-piperidine] 2-oxide;hydrochloride is sourced from PubChem (CID 173201974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).