N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

C15H21N3O3S — CID 98896233

IUPACN-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCc1cncc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)c1
InChIInChI=1S/C15H21N3O3S/c1-11-5-12(9-16-8-11)14(19)18-4-3-15(10-18)6-13(7-15)17-22(2,20)21/h5,8-9,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLMMMQJPMLYDGHW-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.93
Rot. Bonds3

About N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 98896233) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID98896233
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCc1cncc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)c1
InChIInChI=1S/C15H21N3O3S/c1-11-5-12(9-16-8-11)14(19)18-4-3-15(10-18)6-13(7-15)17-22(2,20)21/h5,8-9,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLMMMQJPMLYDGHW-UHFFFAOYSA-N
XLogP0.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896234
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686166
[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-3-pyridinyl)methanone
CID 110156170
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 98896233) is N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is Cc1cncc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)c1.
What is the InChIKey of N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is LMMMQJPMLYDGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-5-12(9-16-8-11)14(19)18-4-3-15(10-18)6-13(7-15)17-22(2,20)21/h5,8-9,13,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 98896233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).