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

C16H22N2O3S — CID 134791368

IUPAC1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCCN2C2COC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(9-13-5-2-3-6-15(13)18)7-4-8-17(16)14-10-21-11-14/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyBWTXOWUXUPBYOW-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.24
Rot. Bonds2

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

1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine] (PubChem CID 134791368) 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-3,2'-pyrrolidine].

Molecular Properties

Compound Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]
PubChem CID134791368
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCCN2C2COC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(9-13-5-2-3-6-15(13)18)7-4-8-17(16)14-10-21-11-14/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyBWTXOWUXUPBYOW-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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-3,2'-pyrrolidine]?
The IUPAC name of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine] (CID 134791368) is 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine].
What is the SMILES notation for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]?
The canonical SMILES for 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine] is CS(=O)(=O)N1CC2(CCCN2C2COC2)Cc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]?
The InChIKey is BWTXOWUXUPBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-22(19,20)18-12-16(9-13-5-2-3-6-15(13)18)7-4-8-17(16)14-10-21-11-14/h2-3,5-6,14H,4,7-12H2,1H3.
What are the key properties of 1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine]?
1-methylsulfonyl-1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-pyrrolidine] has a molecular weight of 322.43 g/mol, XLogP of 1.24, 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-3,2'-pyrrolidine] is sourced from PubChem (CID 134791368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).