1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C12H23NO2S — CID 60580514

IUPAC1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCC2CCCCC21
InChIInChI=1S/C12H23NO2S/c1-2-10-16(14,15)13-9-5-7-11-6-3-4-8-12(11)13/h11-12H,2-10H2,1H3
InChIKeyYLCFJRRNTILSSC-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.38
Rot. Bonds3

About 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 60580514) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID60580514
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCC2CCCCC21
InChIInChI=1S/C12H23NO2S/c1-2-10-16(14,15)13-9-5-7-11-6-3-4-8-12(11)13/h11-12H,2-10H2,1H3
InChIKeyYLCFJRRNTILSSC-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-methylethanamine
CID 54974113
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)propanoate
CID 66794420
2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propylpropan-1-amine
CID 82752302
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)propanoic acid
CID 65319025
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 60580514) is 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCCS(=O)(=O)N1CCCC2CCCCC21.
What is the InChIKey of 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is YLCFJRRNTILSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-10-16(14,15)13-9-5-7-11-6-3-4-8-12(11)13/h11-12H,2-10H2,1H3.
What are the key properties of 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 245.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 60580514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).