3-cyclopentylsulfonylpropanenitrile

C8H13NO2S — CID 64690215

IUPAC3-cyclopentylsulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H13NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h8H,1-5,7H2
InChIKeyJEOZGEFJQCJTHM-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.26
Rot. Bonds3

About 3-cyclopentylsulfonylpropanenitrile

3-cyclopentylsulfonylpropanenitrile (PubChem CID 64690215) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-cyclopentylsulfonylpropanenitrile.

Molecular Properties

Compound Name3-cyclopentylsulfonylpropanenitrile
PubChem CID64690215
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-cyclopentylsulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H13NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h8H,1-5,7H2
InChIKeyJEOZGEFJQCJTHM-UHFFFAOYSA-N
XLogP1.26
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-3-yl)sulfonylpropanenitrile
CID 116855372
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
N-(cyanomethyl)-3-cyclopentylsulfonyl-N-propylpropanamide
CID 60560181
2-[4-(2-cyclohexylsulfonylethoxy)phenyl]acetonitrile
CID 64691638
4-bromobutylsulfonylcyclohexane
CID 60872498
heptylsulfonylcyclooctane
CID 134525047
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
2-azidoethylsulfonylcyclopentane
CID 63115404
4-cyclopentylsulfonyl-2-methylbutan-2-amine
CID 117036332
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonylpropanenitrile?
The IUPAC name of 3-cyclopentylsulfonylpropanenitrile (CID 64690215) is 3-cyclopentylsulfonylpropanenitrile.
What is the SMILES notation for 3-cyclopentylsulfonylpropanenitrile?
The canonical SMILES for 3-cyclopentylsulfonylpropanenitrile is N#CCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonylpropanenitrile?
The InChIKey is JEOZGEFJQCJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h8H,1-5,7H2.
What are the key properties of 3-cyclopentylsulfonylpropanenitrile?
3-cyclopentylsulfonylpropanenitrile has a molecular weight of 187.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonylpropanenitrile is sourced from PubChem (CID 64690215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).