1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one

C17H22N4O3S — CID 154847806

IUPAC1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1nc2ccncc2[nH]1)N1CCC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C17H22N4O3S/c22-16(2-1-15-19-13-3-7-18-11-14(13)20-15)21-8-4-17(12-21)5-9-25(23,24)10-6-17/h3,7,11H,1-2,4-6,8-10,12H2,(H,19,20)
InChIKeyFRNDLJRXGLYTNM-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.32
Rot. Bonds3

About 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one

1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one (PubChem CID 154847806) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one
PubChem CID154847806
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1nc2ccncc2[nH]1)N1CCC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C17H22N4O3S/c22-16(2-1-15-19-13-3-7-18-11-14(13)20-15)21-8-4-17(12-21)5-9-25(23,24)10-6-17/h3,7,11H,1-2,4-6,8-10,12H2,(H,19,20)
InChIKeyFRNDLJRXGLYTNM-UHFFFAOYSA-N
XLogP1.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one?
The IUPAC name of 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one (CID 154847806) is 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one?
The canonical SMILES for 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one is O=C(CCc1nc2ccncc2[nH]1)N1CCC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one?
The InChIKey is FRNDLJRXGLYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-16(2-1-15-19-13-3-7-18-11-14(13)20-15)21-8-4-17(12-21)5-9-25(23,24)10-6-17/h3,7,11H,1-2,4-6,8-10,12H2,(H,19,20).
What are the key properties of 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one?
1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one has a molecular weight of 362.46 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 154847806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).