1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]

C18H26N2O2S — CID 118740554

IUPAC1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)20-14-18(11-16-5-2-3-6-17(16)20)9-4-10-19(13-18)12-15-7-8-15/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyJMTJFJSGYCKQLS-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.50
Rot. Bonds3

About 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]

1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine] (PubChem CID 118740554) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]
PubChem CID118740554
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)20-14-18(11-16-5-2-3-6-17(16)20)9-4-10-19(13-18)12-15-7-8-15/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyJMTJFJSGYCKQLS-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]?
The IUPAC name of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine] (CID 118740554) is 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine] is CS(=O)(=O)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21.
What is the InChIKey of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]?
The InChIKey is JMTJFJSGYCKQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-23(21,22)20-14-18(11-16-5-2-3-6-17(16)20)9-4-10-19(13-18)12-15-7-8-15/h2-3,5-6,15H,4,7-14H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine]?
1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine] has a molecular weight of 334.48 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-piperidine] is sourced from PubChem (CID 118740554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).