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

C14H19N3O3S — CID 98897052

IUPACN-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)16-12-7-14(8-12)4-6-17(10-14)13(18)11-3-2-5-15-9-11/h2-3,5,9,12,16H,4,6-8,10H2,1H3
InChIKeyKTQFOAGPWGCVOS-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.63
Rot. Bonds3

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

N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 98897052) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID98897052
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)16-12-7-14(8-12)4-6-17(10-14)13(18)11-3-2-5-15-9-11/h2-3,5,9,12,16H,4,6-8,10H2,1H3
InChIKeyKTQFOAGPWGCVOS-UHFFFAOYSA-N
XLogP0.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
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
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
N-[9-(pyridine-3-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825972

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 98897052) is N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC2(CCN(C(=O)c3cccnc3)C2)C1.
What is the InChIKey of N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is KTQFOAGPWGCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)16-12-7-14(8-12)4-6-17(10-14)13(18)11-3-2-5-15-9-11/h2-3,5,9,12,16H,4,6-8,10H2,1H3.
What are the key properties of N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 98897052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).