1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]

C19H20N2O2S — CID 71098992

IUPAC1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]
SMILESCc1ccc(S(=O)(=O)N2CCC3(C=Cc4cccnc43)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-15-4-6-17(7-5-15)24(22,23)21-13-10-19(11-14-21)9-8-16-3-2-12-20-18(16)19/h2-9,12H,10-11,13-14H2,1H3
InChIKeyGRAABRIWCWUKOU-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.14
Rot. Bonds2

About 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]

1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine] (PubChem CID 71098992) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]
PubChem CID71098992
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]
SMILESCc1ccc(S(=O)(=O)N2CCC3(C=Cc4cccnc43)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-15-4-6-17(7-5-15)24(22,23)21-13-10-19(11-14-21)9-8-16-3-2-12-20-18(16)19/h2-9,12H,10-11,13-14H2,1H3
InChIKeyGRAABRIWCWUKOU-UHFFFAOYSA-N
XLogP3.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1'-(3-methylphenyl)sulfonylspiro[indene-1,4'-piperidine]
CID 10404940
1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
CID 10361799
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
8-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029773
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
(3aS,6aR)-2-methyl-1'-(4-methylphenyl)sulfonyl-5-pyrimidin-2-ylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 97439128
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
3-(4-methylphenyl)sulfonyl-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171355643
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine] (CID 71098992) is 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine] is Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4cccnc43)CC2)cc1.
What is the InChIKey of 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]?
The InChIKey is GRAABRIWCWUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-4-6-17(7-5-15)24(22,23)21-13-10-19(11-14-21)9-8-16-3-2-12-20-18(16)19/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]?
1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine] has a molecular weight of 340.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylphenyl)sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 71098992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).