1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]

C17H24N2O3S — CID 118740548

IUPAC1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCCN(C3COC3)C2)Cc2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-23(20,21)19-13-17(9-14-5-2-3-6-16(14)19)7-4-8-18(12-17)15-10-22-11-15/h2-3,5-6,15H,4,7-13H2,1H3
InChIKeyCEILSTCFBRLZED-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.49
Rot. Bonds2

About 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]

1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine] (PubChem CID 118740548) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine].

Molecular Properties

Compound Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]
PubChem CID118740548
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCCN(C3COC3)C2)Cc2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-23(20,21)19-13-17(9-14-5-2-3-6-16(14)19)7-4-8-18(12-17)15-10-22-11-15/h2-3,5-6,15H,4,7-13H2,1H3
InChIKeyCEILSTCFBRLZED-UHFFFAOYSA-N
XLogP1.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]?
The IUPAC name of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine] (CID 118740548) is 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine].
What is the SMILES notation for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]?
The canonical SMILES for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine] is CS(=O)(=O)N1CC2(CCCN(C3COC3)C2)Cc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]?
The InChIKey is CEILSTCFBRLZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-23(20,21)19-13-17(9-14-5-2-3-6-16(14)19)7-4-8-18(12-17)15-10-22-11-15/h2-3,5-6,15H,4,7-13H2,1H3.
What are the key properties of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]?
1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine] has a molecular weight of 336.46 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine] is sourced from PubChem (CID 118740548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).