N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide

C11H20N2O2S — CID 55138339

IUPACN-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)CC)CC1
InChIInChI=1S/C11H20N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-8H2,1-2H3
InChIKeyFUETYGLBIXGWRZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.79
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide

N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide (PubChem CID 55138339) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
PubChem CID55138339
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)CC)CC1
InChIInChI=1S/C11H20N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-8H2,1-2H3
InChIKeyFUETYGLBIXGWRZ-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide (CID 55138339) is N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide is CCC1CCC(C#N)(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide?
The InChIKey is FUETYGLBIXGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-10-5-7-11(9-12,8-6-10)13-16(14,15)4-2/h10,13H,3-8H2,1-2H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide?
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 55138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).