(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide

C23H31N3O3S — CID 71193466

IUPAC(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
SMILESCCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C23H31N3O3S/c1-2-18-12-16-6-3-8-19(13-16)22(18)25-23(27)21-10-5-11-26(21)30(28,29)20-9-4-7-17(14-20)15-24/h4,7,9,14,16,18-19,21-22H,2-3,5-6,8,10-13H2,1H3,(H,25,27)/t16?,18?,19?,21-,22?/m1/s1
InChIKeyYUFOIAJOZNWEKJ-MLASTRRYSA-N
MW429.59 g/mol
LogP3.43
Rot. Bonds5

About (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide

(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide (PubChem CID 71193466) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
PubChem CID71193466
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
SMILESCCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C23H31N3O3S/c1-2-18-12-16-6-3-8-19(13-16)22(18)25-23(27)21-10-5-11-26(21)30(28,29)20-9-4-7-17(14-20)15-24/h4,7,9,14,16,18-19,21-22H,2-3,5-6,8,10-13H2,1H3,(H,25,27)/t16?,18?,19?,21-,22?/m1/s1
InChIKeyYUFOIAJOZNWEKJ-MLASTRRYSA-N
XLogP3.43
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
CID 71193706
ethyl 2-[[1-(3-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
CID 143106546
benzyl 1-(3-cyanophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3695394
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
3-[[(3R,8aS)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzonitrile
CID 129425478
3-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667514
3-(3-acetylpiperidin-1-yl)sulfonylbenzonitrile
CID 63845406
3-(4-ethylpiperazin-1-yl)sulfonylbenzonitrile
CID 7975716
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 17490293

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide (CID 71193466) is (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide is CCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The InChIKey is YUFOIAJOZNWEKJ-MLASTRRYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-2-18-12-16-6-3-8-19(13-16)22(18)25-23(27)21-10-5-11-26(21)30(28,29)20-9-4-7-17(14-20)15-24/h4,7,9,14,16,18-19,21-22H,2-3,5-6,8,10-13H2,1H3,(H,25,27)/t16?,18?,19?,21-,22?/m1/s1.
What are the key properties of (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71193466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).