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

C19H28N2O3S — CID 11291487

IUPAC3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CC2CC2)C3)c1
InChIInChI=1S/C19H28N2O3S/c1-20-25(22,23)18-5-3-4-15(10-18)19(24-2)16-8-9-17(19)13-21(12-16)11-14-6-7-14/h3-5,10,14,16-17,20H,6-9,11-13H2,1-2H3
InChIKeyAPTLBHZDCWPVAE-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.19
Rot. Bonds6

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

3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide (PubChem CID 11291487) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
PubChem CID11291487
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CC2CC2)C3)c1
InChIInChI=1S/C19H28N2O3S/c1-20-25(22,23)18-5-3-4-15(10-18)19(24-2)16-8-9-17(19)13-21(12-16)11-14-6-7-14/h3-5,10,14,16-17,20H,6-9,11-13H2,1-2H3
InChIKeyAPTLBHZDCWPVAE-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[8-methoxy-3-(3-methylbutyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide
CID 11269013
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
3-[(1R,5S)-3-(cyclobutylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 139367874
3-[3-(cyclopropylmethyl)-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 153419725
1-[3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl]ethanone
CID 157287182
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
1-[3-(3-butyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)phenyl]ethanone
CID 157287184
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide (CID 11291487) is 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C2(OC)C3CCC2CN(CC2CC2)C3)c1.
What is the InChIKey of 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
The InChIKey is APTLBHZDCWPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-20-25(22,23)18-5-3-4-15(10-18)19(24-2)16-8-9-17(19)13-21(12-16)11-14-6-7-14/h3-5,10,14,16-17,20H,6-9,11-13H2,1-2H3.
What are the key properties of 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide?
3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11291487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).