1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile

C15H27NO2S — CID 65422906

IUPAC1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C15H27NO2S/c1-3-6-14-7-10-15(13-16,11-8-14)9-5-12-19(17,18)4-2/h14H,3-12H2,1-2H3
InChIKeyKCWCGLKXZSUBKU-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.70
Rot. Bonds7

About 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile

1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 65422906) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID65422906
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C15H27NO2S/c1-3-6-14-7-10-15(13-16,11-8-14)9-5-12-19(17,18)4-2/h14H,3-12H2,1-2H3
InChIKeyKCWCGLKXZSUBKU-UHFFFAOYSA-N
XLogP3.70
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-heptyl-1-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596732
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
4-[2-(4-butylcyclohexyl)ethyl]-1-hexylcyclohexane-1-carbonitrile
CID 18596849
4-butyl-1-[2-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596716
4-ethyl-1-heptylcyclohexane-1-carbonitrile
CID 65395560
4-[(4-butylcyclohexyl)oxymethyl]-1-heptylcyclohexane-1-carbonitrile
CID 18596830
(4-cyano-4-pentylcyclohexyl) 4-propylcyclohexane-1-carboxylate
CID 54284529
1-heptyl-4-[4-(4-propylcyclohexyl)phenyl]cyclohexane-1-carbonitrile
CID 18643204
1-[2-(3-methylbutoxy)ethyl]-4-propylcyclohexane-1-carbonitrile
CID 65423679
1-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905
4-(4-decylcyclohexyl)-1-heptylcyclohexane-1-carbonitrile
CID 18596832
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile (CID 65422906) is 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(CCCS(=O)(=O)CC)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is KCWCGLKXZSUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-3-6-14-7-10-15(13-16,11-8-14)9-5-12-19(17,18)4-2/h14H,3-12H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile?
1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 285.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65422906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).