8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline

C21H22N2O2S — CID 18338372

IUPAC8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
SMILESCC1(c2ccccc2)CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C21H22N2O2S/c1-21(18-9-3-2-4-10-18)12-15-23(16-13-21)26(24,25)19-11-5-7-17-8-6-14-22-20(17)19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyXHMPBOXBBWQPGU-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.98
Rot. Bonds3

About 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline

8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline (PubChem CID 18338372) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
PubChem CID18338372
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
SMILESCC1(c2ccccc2)CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C21H22N2O2S/c1-21(18-9-3-2-4-10-18)12-15-23(16-13-21)26(24,25)19-11-5-7-17-8-6-14-22-20(17)19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyXHMPBOXBBWQPGU-UHFFFAOYSA-N
XLogP3.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120777285
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 46198949
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
(2S)-2-methyl-4-[(2S)-2-methylbutyl]-8-quinolin-8-ylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145941
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 23933018

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline (CID 18338372) is 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline is CC1(c2ccccc2)CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is XHMPBOXBBWQPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-21(18-9-3-2-4-10-18)12-15-23(16-13-21)26(24,25)19-11-5-7-17-8-6-14-22-20(17)19/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline?
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 366.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 18338372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).