N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

C18H24F3N3O5S — CID 155866198

IUPACN-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1cncc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O3S.C2HF3O2/c1-12-7-13(11-17-10-12)15(20)19-5-3-16(4-6-19)8-14(9-16)18-23(2,21)22;3-2(4,5)1(6)7/h7,10-11,14,18H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyHPNVITALWHYETI-UHFFFAOYSA-N
MW451.47 g/mol
LogP1.96
Rot. Bonds3

About N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155866198) has the molecular formula C18H24F3N3O5S and a molecular weight of 451.47 g/mol. Its IUPAC name is N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155866198
Molecular FormulaC18H24F3N3O5S
Molecular Weight451.47 g/mol
Exact Mass451.14
IUPAC NameN-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1cncc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O3S.C2HF3O2/c1-12-7-13(11-17-10-12)15(20)19-5-3-16(4-6-19)8-14(9-16)18-23(2,21)22;3-2(4,5)1(6)7/h7,10-11,14,18H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyHPNVITALWHYETI-UHFFFAOYSA-N
XLogP1.96
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
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-[9-(pyridine-3-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825972
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155825983
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
N-(2-azaspiro[3.3]heptan-6-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727731
[3-(4-methylphenyl)spiro[6,8-dihydroimidazo[2,1-c][1,4]oxazine-5,4'-piperidine]-1'-yl]-(5-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155840271

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155866198) is N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is Cc1cncc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is HPNVITALWHYETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.C2HF3O2/c1-12-7-13(11-17-10-12)15(20)19-5-3-16(4-6-19)8-14(9-16)18-23(2,21)22;3-2(4,5)1(6)7/h7,10-11,14,18H,3-6,8-9H2,1-2H3;(H,6,7).
What are the key properties of N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 451.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).