4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C14H17N3O4S — CID 91923779

IUPAC4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C14H17N3O4S/c1-16-12(18)10-22(20,21)14(16)4-8-17(9-5-14)13(19)11-2-6-15-7-3-11/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyKOYJRHSXJZIGGS-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.10
Rot. Bonds1

About 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923779) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923779
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C14H17N3O4S/c1-16-12(18)10-22(20,21)14(16)4-8-17(9-5-14)13(19)11-2-6-15-7-3-11/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyKOYJRHSXJZIGGS-UHFFFAOYSA-N
XLogP-0.10
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923779) is 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1ccncc1)CC2.
What is the InChIKey of 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KOYJRHSXJZIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-16-12(18)10-22(20,21)14(16)4-8-17(9-5-14)13(19)11-2-6-15-7-3-11/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 323.37 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-8-(pyridine-4-carbonyl)-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).