1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone

C15H19NO3S — CID 1247113

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO3S/c17-14(12-20-13-4-2-1-3-5-13)16-8-6-15(7-9-16)18-10-11-19-15/h1-5H,6-12H2
InChIKeyNQJHFLUEOZCKTN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.14
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone (PubChem CID 1247113) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone
PubChem CID1247113
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO3S/c17-14(12-20-13-4-2-1-3-5-13)16-8-6-15(7-9-16)18-10-11-19-15/h1-5H,6-12H2
InChIKeyNQJHFLUEOZCKTN-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone (CID 1247113) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone?
The InChIKey is NQJHFLUEOZCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-14(12-20-13-4-2-1-3-5-13)16-8-6-15(7-9-16)18-10-11-19-15/h1-5H,6-12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone has a molecular weight of 293.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 1247113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).