[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone

C19H21N3O3S — CID 98193036

IUPAC[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1
InChIInChI=1S/C19H21N3O3S/c1-13-11-21-18(12-20-13)19(23)22-14-7-8-15(22)10-17(9-14)26(24,25)16-5-3-2-4-6-16/h2-6,11-12,14-15,17H,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyZMOFJWJPVDBMGM-HUUCEWRRSA-N
MW371.46 g/mol
LogP2.39
Rot. Bonds3

About [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone

[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 98193036) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID98193036
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1
InChIInChI=1S/C19H21N3O3S/c1-13-11-21-18(12-20-13)19(23)22-14-7-8-15(22)10-17(9-14)26(24,25)16-5-3-2-4-6-16/h2-6,11-12,14-15,17H,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyZMOFJWJPVDBMGM-HUUCEWRRSA-N
XLogP2.39
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone (CID 98193036) is [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1.
What is the InChIKey of [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZMOFJWJPVDBMGM-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-11-21-18(12-20-13)19(23)22-14-7-8-15(22)10-17(9-14)26(24,25)16-5-3-2-4-6-16/h2-6,11-12,14-15,17H,7-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone?
[(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 98193036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).