(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C15H21N3O3S — CID 97490225

IUPAC(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-2-5-15(12-18)6-10-17(14(15)19)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyGAYHEXYFUYQVDN-HNNXBMFYSA-N
MW323.42 g/mol
LogP0.86
Rot. Bonds3

About (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490225) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490225
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-2-5-15(12-18)6-10-17(14(15)19)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyGAYHEXYFUYQVDN-HNNXBMFYSA-N
XLogP0.86
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-sulfonamide
CID 155878552
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(5R)-2-methylsulfonyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25309135
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
(5R)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896992
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990
(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647

Frequently Asked Questions

What is the IUPAC name of (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97490225) is (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is CS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1.
What is the InChIKey of (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GAYHEXYFUYQVDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-2-5-15(12-18)6-10-17(14(15)19)11-13-3-7-16-8-4-13/h3-4,7-8H,2,5-6,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 323.42 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).