2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide

C13H28N2O2S — CID 54972051

IUPAC2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-12-6-8-13(9-7-12)15(3)18(16,17)11-10-14-5-2/h12-14H,4-11H2,1-3H3
InChIKeyJCZZQOMGVDHRNI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide

2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide (PubChem CID 54972051) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
PubChem CID54972051
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-12-6-8-13(9-7-12)15(3)18(16,17)11-10-14-5-2/h12-14H,4-11H2,1-3H3
InChIKeyJCZZQOMGVDHRNI-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide (CID 54972051) is 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide is CCNCCS(=O)(=O)N(C)C1CCC(CC)CC1.
What is the InChIKey of 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide?
The InChIKey is JCZZQOMGVDHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-12-6-8-13(9-7-12)15(3)18(16,17)11-10-14-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide?
2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide is sourced from PubChem (CID 54972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).