1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

C14H19N3O2S — CID 104972420

IUPAC1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC[C@H]2CCCN2)c1
InChIInChI=1S/C14H19N3O2S/c15-10-12-3-1-4-13(9-12)11-20(18,19)17-8-6-14-5-2-7-16-14/h1,3-4,9,14,16-17H,2,5-8,11H2/t14-/m1/s1
InChIKeyORBJXJNSSLTSAB-CQSZACIVSA-N
MW293.39 g/mol
LogP1.12
Rot. Bonds6

About 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 104972420) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID104972420
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC[C@H]2CCCN2)c1
InChIInChI=1S/C14H19N3O2S/c15-10-12-3-1-4-13(9-12)11-20(18,19)17-8-6-14-5-2-7-16-14/h1,3-4,9,14,16-17H,2,5-8,11H2/t14-/m1/s1
InChIKeyORBJXJNSSLTSAB-CQSZACIVSA-N
XLogP1.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972605
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
1-(3-cyanophenyl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 120666430
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408
3-chloro-4-cyano-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972674
3-cyano-4-fluoro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794187
3-[(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylmethyl]benzonitrile;hydrochloride
CID 120714352

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 104972420) is 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCC[C@H]2CCCN2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is ORBJXJNSSLTSAB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-10-12-3-1-4-13(9-12)11-20(18,19)17-8-6-14-5-2-7-16-14/h1,3-4,9,14,16-17H,2,5-8,11H2/t14-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 104972420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).