6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline

C18H26N2O2S — CID 5116867

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21
InChIInChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2
InChIKeyLECPJKATPJRAMB-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.39
Rot. Bonds2

About 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 5116867) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
PubChem CID5116867
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21
InChIInChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2
InChIKeyLECPJKATPJRAMB-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline (CID 5116867) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LECPJKATPJRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 334.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 5116867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).