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

C15H18N2O2S — CID 103844643

IUPAC1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C15H18N2O2S/c16-11-14-7-3-4-8-15(14)12-20(18,19)17-10-9-13-5-1-2-6-13/h3-5,7-8,17H,1-2,6,9-10,12H2
InChIKeyJTUVEZMKCYINTC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds6

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

1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide (PubChem CID 103844643) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
PubChem CID103844643
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C15H18N2O2S/c16-11-14-7-3-4-8-15(14)12-20(18,19)17-10-9-13-5-1-2-6-13/h3-5,7-8,17H,1-2,6,9-10,12H2
InChIKeyJTUVEZMKCYINTC-UHFFFAOYSA-N
XLogP2.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
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1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
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3-[(2-cyanophenyl)methylsulfonylamino]propanamide
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1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
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N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233
1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
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2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
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CID 103844235

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide (CID 103844643) is 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCCC1=CCCC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide?
The InChIKey is JTUVEZMKCYINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-11-14-7-3-4-8-15(14)12-20(18,19)17-10-9-13-5-1-2-6-13/h3-5,7-8,17H,1-2,6,9-10,12H2.
What are the key properties of 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 103844643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).