N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide

C14H19N3O3S — CID 99987360

IUPACN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccnc1)C2
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-12-4-5-13(17)8-11(7-12)16-14(18)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeySJMGZJMSUFRSCM-STQMWFEESA-N
MW309.39 g/mol
LogP0.77
Rot. Bonds3

About N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide

N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide (PubChem CID 99987360) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
PubChem CID99987360
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccnc1)C2
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-12-4-5-13(17)8-11(7-12)16-14(18)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeySJMGZJMSUFRSCM-STQMWFEESA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
N-[4-(imidazole-1-carbonylamino)cyclohexyl]pyridine-3-carboxamide
CID 70020378

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide (CID 99987360) is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide is CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccnc1)C2.
What is the InChIKey of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide?
The InChIKey is SJMGZJMSUFRSCM-STQMWFEESA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)17-12-4-5-13(17)8-11(7-12)16-14(18)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide?
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99987360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).