N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane

C23H36N2O3S — CID 87686417

IUPACN-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane
SMILESC.Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)NC2CCC3CCCC2C3)c1
InChIInChI=1S/C22H32N2O3S.CH4/c1-16-5-2-9-20(13-16)28(26,27)24-12-4-8-19(24)15-22(25)23-21-11-10-17-6-3-7-18(21)14-17;/h2,5,9,13,17-19,21H,3-4,6-8,10-12,14-15H2,1H3,(H,23,25);1H4/t17?,18?,19-,21?;/m1./s1
InChIKeyPJIBWQQVLRYNSF-HZUIMHKRSA-N
MW420.62 g/mol
LogP4.26
Rot. Bonds5

About N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane

N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane (PubChem CID 87686417) has the molecular formula C23H36N2O3S and a molecular weight of 420.62 g/mol. Its IUPAC name is N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane
PubChem CID87686417
Molecular FormulaC23H36N2O3S
Molecular Weight420.62 g/mol
Exact Mass420.24
IUPAC NameN-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane
SMILESC.Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)NC2CCC3CCCC2C3)c1
InChIInChI=1S/C22H32N2O3S.CH4/c1-16-5-2-9-20(13-16)28(26,27)24-12-4-8-19(24)15-22(25)23-21-11-10-17-6-3-7-18(21)14-17;/h2,5,9,13,17-19,21H,3-4,6-8,10-12,14-15H2,1H3,(H,23,25);1H4/t17?,18?,19-,21?;/m1./s1
InChIKeyPJIBWQQVLRYNSF-HZUIMHKRSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane with MolForge

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Related Compounds

1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 130288052
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110395032

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane?
The IUPAC name of N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane (CID 87686417) is N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane.
What is the SMILES notation for N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane?
The canonical SMILES for N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane is C.Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)NC2CCC3CCCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane?
The InChIKey is PJIBWQQVLRYNSF-HZUIMHKRSA-N. The full InChI is InChI=1S/C22H32N2O3S.CH4/c1-16-5-2-9-20(13-16)28(26,27)24-12-4-8-19(24)15-22(25)23-21-11-10-17-6-3-7-18(21)14-17;/h2,5,9,13,17-19,21H,3-4,6-8,10-12,14-15H2,1H3,(H,23,25);1H4/t17?,18?,19-,21?;/m1./s1.
What are the key properties of N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane?
N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane has a molecular weight of 420.62 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.3.1]nonanyl)-2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]acetamide;methane is sourced from PubChem (CID 87686417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).