3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide

C20H32N2O3S — CID 11269013

IUPAC3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CCC(C)C)C3)c1
InChIInChI=1S/C20H32N2O3S/c1-15(2)10-11-22-13-17-8-9-18(14-22)20(17,25-4)16-6-5-7-19(12-16)26(23,24)21-3/h5-7,12,15,17-18,21H,8-11,13-14H2,1-4H3
InChIKeyZVTZDCOIHBUMTP-UHFFFAOYSA-N
MW380.55 g/mol
LogP2.82
Rot. Bonds7

About 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide

3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide (PubChem CID 11269013) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
PubChem CID11269013
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CCC(C)C)C3)c1
InChIInChI=1S/C20H32N2O3S/c1-15(2)10-11-22-13-17-8-9-18(14-22)20(17,25-4)16-6-5-7-19(12-16)26(23,24)21-3/h5-7,12,15,17-18,21H,8-11,13-14H2,1-4H3
InChIKeyZVTZDCOIHBUMTP-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide (CID 11269013) is 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CCC(C)C)C3)c1.
What is the InChIKey of 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The InChIKey is ZVTZDCOIHBUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-15(2)10-11-22-13-17-8-9-18(14-22)20(17,25-4)16-6-5-7-19(12-16)26(23,24)21-3/h5-7,12,15,17-18,21H,8-11,13-14H2,1-4H3.
What are the key properties of 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11269013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).