2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile

C15H19NO2S — CID 64698974

IUPAC2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCS(=O)CC1CCCC1
InChIInChI=1S/C15H19NO2S/c16-11-14-7-3-4-8-15(14)18-9-10-19(17)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-10,12H2
InChIKeyRNSDSVWZKRZADQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds6

About 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile

2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile (PubChem CID 64698974) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile
PubChem CID64698974
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCS(=O)CC1CCCC1
InChIInChI=1S/C15H19NO2S/c16-11-14-7-3-4-8-15(14)18-9-10-19(17)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-10,12H2
InChIKeyRNSDSVWZKRZADQ-UHFFFAOYSA-N
XLogP2.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-4-ylsulfinyl)ethoxy]benzonitrile
CID 64690712
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-[3-[cycloheptyl(methyl)amino]propoxy]benzonitrile
CID 43614065
2-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)ethoxy]benzonitrile
CID 114513535
2-[2-(2,4-dimethylphenyl)sulfinylethoxy]benzonitrile
CID 64692712
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-[2-(4-methoxyphenyl)sulfinylethoxy]benzonitrile
CID 64691895
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-[2-(hydroxymethyl)azepan-1-yl]ethoxy]benzonitrile
CID 116634750
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile (CID 64698974) is 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile is N#Cc1ccccc1OCCS(=O)CC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile?
The InChIKey is RNSDSVWZKRZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c16-11-14-7-3-4-8-15(14)18-9-10-19(17)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-10,12H2.
What are the key properties of 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile?
2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile has a molecular weight of 277.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile is sourced from PubChem (CID 64698974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).