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

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

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Related Compounds

3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
CID 11291487
3-(3-heptyl-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)-N-methylbenzenesulfonamide
CID 11373195
3-[3-[(4-chloro-2-fluorophenyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
CID 11339958
3-[8-methoxy-3-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
CID 11397267
3-[8-methoxy-3-(quinolin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
CID 11775314
1-[3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl]ethanone
CID 157287182
3-benzyl-8-(3-bromophenyl)-8-methoxy-3-azabicyclo[3.2.1]octane
CID 69428465
3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol
CID 11749130
3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
CID 170906272
N-[3-[3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenyl]acetamide
CID 11177634
3-[3-[2-(2,5-dioxocyclopentyl)ethyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 163774785
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554

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).