1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]

C20H21NO2S — CID 10404940

IUPAC1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]
SMILESCc1cccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)c1
InChIInChI=1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3
InChIKeyLXURPPOZXNGGAE-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.74
Rot. Bonds2

About 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]

1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine] (PubChem CID 10404940) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]
PubChem CID10404940
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]
SMILESCc1cccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)c1
InChIInChI=1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3
InChIKeyLXURPPOZXNGGAE-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
CID 10361799
1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]
CID 71098992
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
1-(3-methylphenyl)sulfonyl-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46087013
4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 20511849
N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24702246
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine] (CID 10404940) is 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine] is Cc1cccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)c1.
What is the InChIKey of 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]?
The InChIKey is LXURPPOZXNGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3.
What are the key properties of 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]?
1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine] has a molecular weight of 339.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 10404940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).