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

C14H19N3O2S — CID 104972605

IUPAC1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2S/c15-10-12-4-1-2-5-13(12)11-20(18,19)17-9-7-14-6-3-8-16-14/h1-2,4-5,14,16-17H,3,6-9,11H2/t14-/m0/s1
InChIKeyZOZDFIGMERXPRH-AWEZNQCLSA-N
MW293.39 g/mol
LogP1.12
Rot. Bonds6

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

1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 104972605) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID104972605
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2S/c15-10-12-4-1-2-5-13(12)11-20(18,19)17-9-7-14-6-3-8-16-14/h1-2,4-5,14,16-17H,3,6-9,11H2/t14-/m0/s1
InChIKeyZOZDFIGMERXPRH-AWEZNQCLSA-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-cyclopentylethyl)methanesulfonamide
CID 60733971
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
3-cyano-4-fluoro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794187
3-chloro-4-cyano-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972674
3-methyl-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 107111505
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 60734497

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 104972605) is 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is ZOZDFIGMERXPRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-10-12-4-1-2-5-13(12)11-20(18,19)17-9-7-14-6-3-8-16-14/h1-2,4-5,14,16-17H,3,6-9,11H2/t14-/m0/s1.
What are the key properties of 1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[2-[(2S)-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-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 104972605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).