8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C22H25N3O2S — CID 91777588

IUPAC8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccnc3SCCc3ccccc3)CC2)CN1
InChIInChI=1S/C22H25N3O2S/c26-19-15-22(16-24-19)9-12-25(13-10-22)21(27)18-7-4-11-23-20(18)28-14-8-17-5-2-1-3-6-17/h1-7,11H,8-10,12-16H2,(H,24,26)
InChIKeyZDVXMYYEVJNQKW-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.16
Rot. Bonds5

About 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91777588) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID91777588
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccnc3SCCc3ccccc3)CC2)CN1
InChIInChI=1S/C22H25N3O2S/c26-19-15-22(16-24-19)9-12-25(13-10-22)21(27)18-7-4-11-23-20(18)28-14-8-17-5-2-1-3-6-17/h1-7,11H,8-10,12-16H2,(H,24,26)
InChIKeyZDVXMYYEVJNQKW-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 133268360
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 91774525
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
2-(2-pyridin-3-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 63265060
8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70753586
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50985529

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 91777588) is 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccnc3SCCc3ccccc3)CC2)CN1.
What is the InChIKey of 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZDVXMYYEVJNQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-19-15-22(16-24-19)9-12-25(13-10-22)21(27)18-7-4-11-23-20(18)28-14-8-17-5-2-1-3-6-17/h1-7,11H,8-10,12-16H2,(H,24,26).
What are the key properties of 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 395.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91777588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).