2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide

C13H28N2O3S — CID 79122485

IUPAC2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
SMILESCCNC1CCC(N(C)S(=O)(=O)CCOCC)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-14-12-6-8-13(9-7-12)15(3)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3
InChIKeyXXTSHUIGZGUUGD-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.21
Rot. Bonds8

About 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide

2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide (PubChem CID 79122485) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
PubChem CID79122485
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
SMILESCCNC1CCC(N(C)S(=O)(=O)CCOCC)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-14-12-6-8-13(9-7-12)15(3)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3
InChIKeyXXTSHUIGZGUUGD-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide (CID 79122485) is 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide is CCNC1CCC(N(C)S(=O)(=O)CCOCC)CC1.
What is the InChIKey of 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide?
The InChIKey is XXTSHUIGZGUUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-14-12-6-8-13(9-7-12)15(3)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide?
2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide is sourced from PubChem (CID 79122485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).