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

C20H23NO4S — CID 98193107

IUPAC[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1
InChIInChI=1S/C20H23NO4S/c1-13-10-19(14(2)25-13)20(22)21-15-8-9-16(21)12-18(11-15)26(23,24)17-6-4-3-5-7-17/h3-7,10,15-16,18H,8-9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyZAXHZMYMIJASPD-HOTGVXAUSA-N
MW373.47 g/mol
LogP3.51
Rot. Bonds3

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

[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 98193107) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID98193107
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1
InChIInChI=1S/C20H23NO4S/c1-13-10-19(14(2)25-13)20(22)21-15-8-9-16(21)12-18(11-15)26(23,24)17-6-4-3-5-7-17/h3-7,10,15-16,18H,8-9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyZAXHZMYMIJASPD-HOTGVXAUSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-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 [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 98193107) is [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1.
What is the InChIKey of [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is ZAXHZMYMIJASPD-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-13-10-19(14(2)25-13)20(22)21-15-8-9-16(21)12-18(11-15)26(23,24)17-6-4-3-5-7-17/h3-7,10,15-16,18H,8-9,11-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 373.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 98193107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).