5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane

C14H14N2O2S2 — CID 122245258

IUPAC5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1cccc2cccnc12)N1CC2CC1CS2
InChIInChI=1S/C14H14N2O2S2/c17-20(18,16-8-12-7-11(16)9-19-12)13-5-1-3-10-4-2-6-15-14(10)13/h1-6,11-12H,7-9H2
InChIKeyKTHVAXJXUDVBCW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.11
Rot. Bonds2

About 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane

5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane (PubChem CID 122245258) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
PubChem CID122245258
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1cccc2cccnc12)N1CC2CC1CS2
InChIInChI=1S/C14H14N2O2S2/c17-20(18,16-8-12-7-11(16)9-19-12)13-5-1-3-10-4-2-6-15-14(10)13/h1-6,11-12H,7-9H2
InChIKeyKTHVAXJXUDVBCW-UHFFFAOYSA-N
XLogP2.11
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
5-(3-fluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273000
N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 156602199
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
5-(2,5-difluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273016
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane (CID 122245258) is 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane is O=S(=O)(c1cccc2cccnc12)N1CC2CC1CS2.
What is the InChIKey of 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane?
The InChIKey is KTHVAXJXUDVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-20(18,16-8-12-7-11(16)9-19-12)13-5-1-3-10-4-2-6-15-14(10)13/h1-6,11-12H,7-9H2.
What are the key properties of 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane?
5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane has a molecular weight of 306.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122245258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).