1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

C19H26N2O4S — CID 134073271

IUPAC1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC1CCCO1)c1ccccc12
InChIInChI=1S/C19H26N2O4S/c1-26(23,24)20-10-8-19(9-11-20)13-18(22)21(14-15-5-4-12-25-15)17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeySSIRONZTTKEOGY-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.90
Rot. Bonds3

About 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (PubChem CID 134073271) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
PubChem CID134073271
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC1CCCO1)c1ccccc12
InChIInChI=1S/C19H26N2O4S/c1-26(23,24)20-10-8-19(9-11-20)13-18(22)21(14-15-5-4-12-25-15)17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeySSIRONZTTKEOGY-UHFFFAOYSA-N
XLogP1.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073270
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
2-[2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
CID 131640470
2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
CID 97401403
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
CID 97401444
4a-(3-methoxyphenyl)-2-(oxolan-2-ylmethyl)-5,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
CID 20534391
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
CID 97400115
(3R)-4'-[hydroxy(phenyl)methylidene]-1'-[[(2R)-oxolan-2-yl]methyl]-1-propylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 41122879
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705

Frequently Asked Questions

What is the IUPAC name of 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (CID 134073271) is 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is CS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC1CCCO1)c1ccccc12.
What is the InChIKey of 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The InChIKey is SSIRONZTTKEOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-26(23,24)20-10-8-19(9-11-20)13-18(22)21(14-15-5-4-12-25-15)17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3.
What are the key properties of 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one has a molecular weight of 378.49 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 134073271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).