8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C16H18N2O4S — CID 22772866

IUPAC8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18N2O4S/c19-23(20,14-5-1-3-13-4-2-8-17-15(13)14)18-9-6-16(7-10-18)21-11-12-22-16/h1-5,8H,6-7,9-12H2
InChIKeyQTHPYZZWJWRDNQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.76
Rot. Bonds2

About 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 22772866) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID22772866
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18N2O4S/c19-23(20,14-5-1-3-13-4-2-8-17-15(13)14)18-9-6-16(7-10-18)21-11-12-22-16/h1-5,8H,6-7,9-12H2
InChIKeyQTHPYZZWJWRDNQ-UHFFFAOYSA-N
XLogP1.76
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 46198949
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120777285
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230

Frequently Asked Questions

What is the IUPAC name of 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 22772866) is 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is QTHPYZZWJWRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-23(20,14-5-1-3-13-4-2-8-17-15(13)14)18-9-6-16(7-10-18)21-11-12-22-16/h1-5,8H,6-7,9-12H2.
What are the key properties of 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 334.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 22772866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).