N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

C16H23N3O3S — CID 98896529

IUPACN-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)cn1
InChIInChI=1S/C16H23N3O3S/c1-12-3-4-13(11-17-12)15(20)19-7-5-16(6-8-19)9-14(10-16)18-23(2,21)22/h3-4,11,14,18H,5-10H2,1-2H3
InChIKeyFUDAIPYXSSNQSS-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.32
Rot. Bonds3

About N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (PubChem CID 98896529) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
PubChem CID98896529
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)cn1
InChIInChI=1S/C16H23N3O3S/c1-12-3-4-13(11-17-12)15(20)19-7-5-16(6-8-19)9-14(10-16)18-23(2,21)22/h3-4,11,14,18H,5-10H2,1-2H3
InChIKeyFUDAIPYXSSNQSS-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580

Frequently Asked Questions

What is the IUPAC name of N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The IUPAC name of N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (CID 98896529) is N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is Cc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)cn1.
What is the InChIKey of N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The InChIKey is FUDAIPYXSSNQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-3-4-13(11-17-12)15(20)19-7-5-16(6-8-19)9-14(10-16)18-23(2,21)22/h3-4,11,14,18H,5-10H2,1-2H3.
What are the key properties of N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is sourced from PubChem (CID 98896529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).