8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane

C19H28N2O2S — CID 159706834

IUPAC8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
SMILESC.CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)c2cccnc12
InChIInChI=1S/C18H24N2O2S.CH4/c1-18(2,3)15-9-10-16(14-8-7-11-19-17(14)15)23(21,22)20-12-5-4-6-13-20;/h7-11H,4-6,12-13H2,1-3H3;1H4
InChIKeyMYHXIIJUZBMAMY-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.34
Rot. Bonds2

About 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane

8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane (PubChem CID 159706834) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane.

Molecular Properties

Compound Name8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
PubChem CID159706834
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
SMILESC.CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)c2cccnc12
InChIInChI=1S/C18H24N2O2S.CH4/c1-18(2,3)15-9-10-16(14-8-7-11-19-17(14)15)23(21,22)20-12-5-4-6-13-20;/h7-11H,4-6,12-13H2,1-3H3;1H4
InChIKeyMYHXIIJUZBMAMY-UHFFFAOYSA-N
XLogP4.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-ditert-butylquinoline;ethane
CID 142102448
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
CID 99988195
1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
CID 167755588
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
1-(4-bromonaphthalen-1-yl)sulfonylazepane
CID 1075093
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 15991639

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane?
The IUPAC name of 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane (CID 159706834) is 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane.
What is the SMILES notation for 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane?
The canonical SMILES for 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane is C.CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)c2cccnc12.
What is the InChIKey of 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane?
The InChIKey is MYHXIIJUZBMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.CH4/c1-18(2,3)15-9-10-16(14-8-7-11-19-17(14)15)23(21,22)20-12-5-4-6-13-20;/h7-11H,4-6,12-13H2,1-3H3;1H4.
What are the key properties of 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane?
8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane has a molecular weight of 348.51 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane is sourced from PubChem (CID 159706834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).