(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone

C15H21N3O3S — CID 131638627

IUPAC(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
SMILESCS(=O)(=O)N1CCC2(CCCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-6-15(12-18)5-3-8-17(11-15)14(19)13-4-2-7-16-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3
InChIKeyXYKDXKZHVOWOQZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.97
Rot. Bonds2

About (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone

(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone (PubChem CID 131638627) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
PubChem CID131638627
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
SMILESCS(=O)(=O)N1CCC2(CCCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-6-15(12-18)5-3-8-17(11-15)14(19)13-4-2-7-16-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3
InChIKeyXYKDXKZHVOWOQZ-UHFFFAOYSA-N
XLogP0.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845554
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155832394
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone (CID 131638627) is (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone is CS(=O)(=O)N1CCC2(CCCN(C(=O)c3cccnc3)C2)C1.
What is the InChIKey of (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone?
The InChIKey is XYKDXKZHVOWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-6-15(12-18)5-3-8-17(11-15)14(19)13-4-2-7-16-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3.
What are the key properties of (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone?
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 131638627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).