N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide

C25H27N3O5S — CID 20950520

IUPACN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H27N3O5S/c29-24(28-14-11-25(12-15-28)32-16-17-33-25)21(18-19-6-2-1-3-7-19)27-34(30,31)22-10-4-8-20-9-5-13-26-23(20)22/h1-10,13,21,27H,11-12,14-18H2
InChIKeyDHRUDVWQTJYJKN-UHFFFAOYSA-N
MW481.57 g/mol
LogP2.49
Rot. Bonds6

About N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide

N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide (PubChem CID 20950520) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide
PubChem CID20950520
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H27N3O5S/c29-24(28-14-11-25(12-15-28)32-16-17-33-25)21(18-19-6-2-1-3-7-19)27-34(30,31)22-10-4-8-20-9-5-13-26-23(20)22/h1-10,13,21,27H,11-12,14-18H2
InChIKeyDHRUDVWQTJYJKN-UHFFFAOYSA-N
XLogP2.49
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide (CID 20950520) is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide is O=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide?
The InChIKey is DHRUDVWQTJYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-24(28-14-11-25(12-15-28)32-16-17-33-25)21(18-19-6-2-1-3-7-19)27-34(30,31)22-10-4-8-20-9-5-13-26-23(20)22/h1-10,13,21,27H,11-12,14-18H2.
What are the key properties of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide?
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide has a molecular weight of 481.57 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 20950520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).