4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide

C17H24N2O4S — CID 122255270

IUPAC4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H24N2O4S/c1-18(2)24(21,22)16-8-4-12(5-9-16)17(20)19-13-6-7-14(19)11-15(10-13)23-3/h4-5,8-9,13-15H,6-7,10-11H2,1-3H3
InChIKeyJJEMLICCUAFKAJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds4

About 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide

4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 122255270) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID122255270
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H24N2O4S/c1-18(2)24(21,22)16-8-4-12(5-9-16)17(20)19-13-6-7-14(19)11-15(10-13)23-3/h4-5,8-9,13-15H,6-7,10-11H2,1-3H3
InChIKeyJJEMLICCUAFKAJ-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 122255270) is 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide is COC1CC2CCC(C1)N2C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is JJEMLICCUAFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-18(2)24(21,22)16-8-4-12(5-9-16)17(20)19-13-6-7-14(19)11-15(10-13)23-3/h4-5,8-9,13-15H,6-7,10-11H2,1-3H3.
What are the key properties of 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 122255270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).