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

C13H18N4O3S — CID 98894476

IUPACN-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C13H18N4O3S/c1-21(19,20)16-10-6-13(7-10)2-5-17(9-13)12(18)11-8-14-3-4-15-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMJYCXOVAXGWLCC-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.02
Rot. Bonds3

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

N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 98894476) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID98894476
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C13H18N4O3S/c1-21(19,20)16-10-6-13(7-10)2-5-17(9-13)12(18)11-8-14-3-4-15-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMJYCXOVAXGWLCC-UHFFFAOYSA-N
XLogP0.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896234
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686166
[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449478
N-[7-(cyclopent-3-ene-1-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897154

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 98894476) is N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC2(CCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is MJYCXOVAXGWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-21(19,20)16-10-6-13(7-10)2-5-17(9-13)12(18)11-8-14-3-4-15-11/h3-4,8,10,16H,2,5-7,9H2,1H3.
What are the key properties of N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 98894476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).