8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium

C24H25N2O6S+ — CID 2137428

IUPAC8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium
SMILESO=S(=O)(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCC2(CC1)OCCO2)OCCO3
InChIInChI=1S/C24H24N2O6S/c27-33(28,17-4-2-1-3-5-17)22-16-25-19-15-21-20(29-10-11-30-21)14-18(19)23(22)26-8-6-24(7-9-26)31-12-13-32-24/h1-5,14-16H,6-13H2/p+1
InChIKeySNCYGPJNKPTTAR-UHFFFAOYSA-O
MW469.54 g/mol
LogP2.60
Rot. Bonds3

About 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium

8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium (PubChem CID 2137428) has the molecular formula C24H25N2O6S+ and a molecular weight of 469.54 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium.

Molecular Properties

Compound Name8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium
PubChem CID2137428
Molecular FormulaC24H25N2O6S+
Molecular Weight469.54 g/mol
Exact Mass469.14
IUPAC Name8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium
SMILESO=S(=O)(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCC2(CC1)OCCO2)OCCO3
InChIInChI=1S/C24H24N2O6S/c27-33(28,17-4-2-1-3-5-17)22-16-25-19-15-21-20(29-10-11-30-21)14-18(19)23(22)26-8-6-24(7-9-26)31-12-13-32-24/h1-5,14-16H,6-13H2/p+1
InChIKeySNCYGPJNKPTTAR-UHFFFAOYSA-O
XLogP2.60
TPSA88.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium?
The IUPAC name of 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium (CID 2137428) is 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium.
What is the SMILES notation for 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium?
The canonical SMILES for 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium is O=S(=O)(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCC2(CC1)OCCO2)OCCO3.
What is the InChIKey of 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium?
The InChIKey is SNCYGPJNKPTTAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O6S/c27-33(28,17-4-2-1-3-5-17)22-16-25-19-15-21-20(29-10-11-30-21)14-18(19)23(22)26-8-6-24(7-9-26)31-12-13-32-24/h1-5,14-16H,6-13H2/p+1.
What are the key properties of 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium?
8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium has a molecular weight of 469.54 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium is sourced from PubChem (CID 2137428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).