1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide

C20H23NOS — CID 10782325

IUPAC1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide
SMILESO=S1c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H23NOS/c22-23-19-9-5-4-8-18(19)10-11-20(23)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyQZTBMIWQKQVGNL-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.78
Rot. Bonds2

About 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide

1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide (PubChem CID 10782325) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide.

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide
PubChem CID10782325
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide
SMILESO=S1c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H23NOS/c22-23-19-9-5-4-8-18(19)10-11-20(23)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyQZTBMIWQKQVGNL-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1'-benzylspiro[1H-naphthalene-4,4'-piperidine]
CID 22012211
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 12706476
1-(1'-benzylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)-2,2,2-trifluoroethanone
CID 121359829
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine
CID 99997092
(4-benzylpiperazin-1-yl) hypoiodite
CID 144778500
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide?
The IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide (CID 10782325) is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide.
What is the SMILES notation for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide?
The canonical SMILES for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide is O=S1c2ccccc2CCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide?
The InChIKey is QZTBMIWQKQVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c22-23-19-9-5-4-8-18(19)10-11-20(23)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide?
1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide has a molecular weight of 325.48 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide is sourced from PubChem (CID 10782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).