N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide

C24H31N5O4S — CID 11698760

IUPACN-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3cccnc3)CC(C1)O2
InChIInChI=1S/C24H31N5O4S/c1-34(30,31)29(11-12-32-22-6-4-20(13-25)5-7-22)10-9-27-16-23-18-28(19-24(17-27)33-23)15-21-3-2-8-26-14-21/h2-8,14,23-24H,9-12,15-19H2,1H3
InChIKeyTYYIIDFFWXUZDP-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.18
Rot. Bonds10

About N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide

N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide (PubChem CID 11698760) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide
PubChem CID11698760
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC NameN-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3cccnc3)CC(C1)O2
InChIInChI=1S/C24H31N5O4S/c1-34(30,31)29(11-12-32-22-6-4-20(13-25)5-7-22)10-9-27-16-23-18-28(19-24(17-27)33-23)15-21-3-2-8-26-14-21/h2-8,14,23-24H,9-12,15-19H2,1H3
InChIKeyTYYIIDFFWXUZDP-UHFFFAOYSA-N
XLogP1.18
TPSA99.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

4-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide
CID 47083044
N-{1-[4-(2-pyridinylmethoxy)benzyl]-4-piperidinyl}methanesulfonamide
CID 70710070
2-[[5-(3,4-Difluorophenyl)-3-pyridinyl]oxy]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 176228221
2-[[5-(3,4-Difluorophenyl)-3-pyridinyl]oxy]-6-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 176228374
2-((1-((2,5-Difluorobenzyl)sulfonyl)piperidin-3-yl)oxy)isonicotinonitrile
CID 122243450
2-[(3S)-1-[(2,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 129527302
2-[(3R)-1-[(2,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 129527303
N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 16677851
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732334
(E)-2-((1-((4-methylstyryl)sulfonyl)piperidin-4-yl)oxy)nicotinonitrile
CID 71799067
6-((1-((3-Methylbenzyl)sulfonyl)piperidin-4-yl)oxy)nicotinonitrile
CID 71799137

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide (CID 11698760) is N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide is CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3cccnc3)CC(C1)O2.
What is the InChIKey of N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide?
The InChIKey is TYYIIDFFWXUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-34(30,31)29(11-12-32-22-6-4-20(13-25)5-7-22)10-9-27-16-23-18-28(19-24(17-27)33-23)15-21-3-2-8-26-14-21/h2-8,14,23-24H,9-12,15-19H2,1H3.
What are the key properties of N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide?
N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 1.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-(pyridin-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 11698760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).