4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one

C16H23ClN2O3S — CID 139370426

IUPAC4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one
SMILESCS(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-23(22)13-9-19(14(20)8-12(13)17)11-16(21)6-7-18-10-15(16)4-2-3-5-15/h8-9,18,21H,2-7,10-11H2,1H3
InChIKeyFSWKVDVXBOGTPO-UHFFFAOYSA-N
MW358.89 g/mol
LogP1.52
Rot. Bonds3

About 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one

4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one (PubChem CID 139370426) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one.

Molecular Properties

Compound Name4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one
PubChem CID139370426
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one
SMILESCS(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-23(22)13-9-19(14(20)8-12(13)17)11-16(21)6-7-18-10-15(16)4-2-3-5-15/h8-9,18,21H,2-7,10-11H2,1H3
InChIKeyFSWKVDVXBOGTPO-UHFFFAOYSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 145450484
1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride
CID 156903452
ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate
CID 175292061
4-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]morpholin-3-one
CID 139370198
3-[(4-hydroxy-3,3-dimethylpiperidin-4-yl)methyl]-6-phenylpyrimidin-4-one
CID 139347168
1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 134210082
3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 154926893
6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 157339146
4-[[4-chloro-5-[methyl(propan-2-yl)carbamoyl]-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 134209628
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218904
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
6-azadispiro[2.0.44.43]dodecane
CID 83905513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one?
The IUPAC name of 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one (CID 139370426) is 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one.
What is the SMILES notation for 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one?
The canonical SMILES for 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one is CS(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1Cl.
What is the InChIKey of 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one?
The InChIKey is FSWKVDVXBOGTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(22)13-9-19(14(20)8-12(13)17)11-16(21)6-7-18-10-15(16)4-2-3-5-15/h8-9,18,21H,2-7,10-11H2,1H3.
What are the key properties of 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one?
4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one has a molecular weight of 358.89 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one is sourced from PubChem (CID 139370426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).