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

C16H22N2O3S — CID 118740551

IUPAC1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3COC3)C2)Cc2ccccc21
InChIInChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(8-13-4-2-3-5-15(13)18)6-7-17(11-16)14-9-21-10-14/h2-5,14H,6-12H2,1H3
InChIKeyCQVTUNAOTGAHDS-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.10
Rot. Bonds2

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

1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (PubChem CID 118740551) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
PubChem CID118740551
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3COC3)C2)Cc2ccccc21
InChIInChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(8-13-4-2-3-5-15(13)18)6-7-17(11-16)14-9-21-10-14/h2-5,14H,6-12H2,1H3
InChIKeyCQVTUNAOTGAHDS-UHFFFAOYSA-N
XLogP1.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine] with MolForge

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Related Compounds

1'-Cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
CID 118740547
1-Methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-piperidine]
CID 118740548
1'-(Cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
CID 118740549
1'-Cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
CID 118740550
1'-(Cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
CID 118740553
2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol
CID 172438236
CID 134787444
CID 134787444
CID 134788973
CID 134788973
1-[1'-(Oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone
CID 134790887
Sdccgsbi-0662741.P001
CID 134791368
CID 134791468
CID 134791468
CID 134792347
CID 134792347

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The IUPAC name of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (CID 118740551) is 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine].
What is the SMILES notation for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The canonical SMILES for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is CS(=O)(=O)N1CC2(CCN(C3COC3)C2)Cc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The InChIKey is CQVTUNAOTGAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(8-13-4-2-3-5-15(13)18)6-7-17(11-16)14-9-21-10-14/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine] has a molecular weight of 322.43 g/mol, XLogP of 1.10, 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'-pyrrolidine] is sourced from PubChem (CID 118740551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).