N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

C16H23N3O3S — CID 98897132

IUPACN-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-17-11-14(12)15(20)19-7-4-16(5-8-19)9-13(10-16)18-23(2,21)22/h3,6,11,13,18H,4-5,7-10H2,1-2H3
InChIKeyALTMFFGKJOMBND-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.32
Rot. Bonds3

About N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (PubChem CID 98897132) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
PubChem CID98897132
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-17-11-14(12)15(20)19-7-4-16(5-8-19)9-13(10-16)18-23(2,21)22/h3,6,11,13,18H,4-5,7-10H2,1-2H3
InChIKeyALTMFFGKJOMBND-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-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
CID 164631317
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
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-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
N-[7-(cyclopent-3-ene-1-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897154
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The IUPAC name of N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (CID 98897132) is N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is Cc1ccncc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2.
What is the InChIKey of N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The InChIKey is ALTMFFGKJOMBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-3-6-17-11-14(12)15(20)19-7-4-16(5-8-19)9-13(10-16)18-23(2,21)22/h3,6,11,13,18H,4-5,7-10H2,1-2H3.
What are the key properties of N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
N-[7-(4-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-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is sourced from PubChem (CID 98897132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).