N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide

C12H22N2O3S — CID 55014581

IUPACN-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)CCOC)CC1
InChIInChI=1S/C12H22N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-9H2,1-2H3
InChIKeyKUNNVIQXHKNLHQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.41
Rot. Bonds6

About N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide

N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide (PubChem CID 55014581) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide
PubChem CID55014581
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)CCOC)CC1
InChIInChI=1S/C12H22N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-9H2,1-2H3
InChIKeyKUNNVIQXHKNLHQ-UHFFFAOYSA-N
XLogP1.41
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide (CID 55014581) is N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide is CCC1CCC(C#N)(NS(=O)(=O)CCOC)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide?
The InChIKey is KUNNVIQXHKNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-9H2,1-2H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide?
N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55014581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).