1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one

C19H19NO3S — CID 177497849

IUPAC1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H19NO3S/c21-18-14-19(17-9-5-4-8-16(17)18)10-12-20(13-11-19)24(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyIAMLLGYCJHASDT-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.00
Rot. Bonds2

About 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one

1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one (PubChem CID 177497849) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one
PubChem CID177497849
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H19NO3S/c21-18-14-19(17-9-5-4-8-16(17)18)10-12-20(13-11-19)24(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyIAMLLGYCJHASDT-UHFFFAOYSA-N
XLogP3.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-(benzenesulfonyl)-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 166194214
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10970331
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130

Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one (CID 177497849) is 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one is O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one?
The InChIKey is IAMLLGYCJHASDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-18-14-19(17-9-5-4-8-16(17)18)10-12-20(13-11-19)24(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one?
1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one has a molecular weight of 341.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one is sourced from PubChem (CID 177497849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).