9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one

C15H22N4O3S — CID 134074182

IUPAC9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESCN1CCN(Cc2ccncc2)C2(CCN(S(C)(=O)=O)C2)C1=O
InChIInChI=1S/C15H22N4O3S/c1-17-9-10-18(11-13-3-6-16-7-4-13)15(14(17)20)5-8-19(12-15)23(2,21)22/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeySVICBBBCGBHKPV-UHFFFAOYSA-N
MW338.43 g/mol
LogP-0.24
Rot. Bonds3

About 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one

9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 134074182) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID134074182
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESCN1CCN(Cc2ccncc2)C2(CCN(S(C)(=O)=O)C2)C1=O
InChIInChI=1S/C15H22N4O3S/c1-17-9-10-18(11-13-3-6-16-7-4-13)15(14(17)20)5-8-19(12-15)23(2,21)22/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeySVICBBBCGBHKPV-UHFFFAOYSA-N
XLogP-0.24
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one (CID 134074182) is 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one is CN1CCN(Cc2ccncc2)C2(CCN(S(C)(=O)=O)C2)C1=O.
What is the InChIKey of 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is SVICBBBCGBHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-17-9-10-18(11-13-3-6-16-7-4-13)15(14(17)20)5-8-19(12-15)23(2,21)22/h3-4,6-7H,5,8-12H2,1-2H3.
What are the key properties of 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 338.43 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 134074182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).