N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide

C15H21N3O3S — CID 134060178

IUPACN-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCOc1cccc(C2CCCN2S(=O)(=O)N(C)CCC#N)c1
InChIInChI=1S/C15H21N3O3S/c1-17(10-5-9-16)22(19,20)18-11-4-8-15(18)13-6-3-7-14(12-13)21-2/h3,6-7,12,15H,4-5,8,10-11H2,1-2H3
InChIKeySJEVHFAVJZDACS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.92
Rot. Bonds6

About N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide

N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 134060178) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID134060178
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCOc1cccc(C2CCCN2S(=O)(=O)N(C)CCC#N)c1
InChIInChI=1S/C15H21N3O3S/c1-17(10-5-9-16)22(19,20)18-11-4-8-15(18)13-6-3-7-14(12-13)21-2/h3,6-7,12,15H,4-5,8,10-11H2,1-2H3
InChIKeySJEVHFAVJZDACS-UHFFFAOYSA-N
XLogP1.92
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-methylazepane-1-sulfonamide
CID 35317057
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 24613826
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 97260415
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
2-cyano-N-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 51932935
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
CID 95710602
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide (CID 134060178) is N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide is COc1cccc(C2CCCN2S(=O)(=O)N(C)CCC#N)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is SJEVHFAVJZDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17(10-5-9-16)22(19,20)18-11-4-8-15(18)13-6-3-7-14(12-13)21-2/h3,6-7,12,15H,4-5,8,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide?
N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 134060178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).