1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C18H25N3O3S — CID 70711227

IUPAC1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCS(=O)(=O)C2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C18H25N3O3S/c22-17-18(7-9-19-10-8-18)20-15-5-1-2-6-16(15)21(17)12-14-4-3-11-25(23,24)13-14/h1-2,5-6,14,19-20H,3-4,7-13H2
InChIKeyVDFVCRSTUYRCGU-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.39
Rot. Bonds2

About 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70711227) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70711227
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCS(=O)(=O)C2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C18H25N3O3S/c22-17-18(7-9-19-10-8-18)20-15-5-1-2-6-16(15)21(17)12-14-4-3-11-25(23,24)13-14/h1-2,5-6,14,19-20H,3-4,7-13H2
InChIKeyVDFVCRSTUYRCGU-UHFFFAOYSA-N
XLogP1.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70711227) is 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is O=C1N(CC2CCCS(=O)(=O)C2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is VDFVCRSTUYRCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-17-18(7-9-19-10-8-18)20-15-5-1-2-6-16(15)21(17)12-14-4-3-11-25(23,24)13-14/h1-2,5-6,14,19-20H,3-4,7-13H2.
What are the key properties of 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 363.48 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70711227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).