N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H17F3N2O2S — CID 55009504

IUPACN-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c1-2-13-5-6-17(15,16)14(8-3-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyAZNONLSKGODCPU-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.95
Rot. Bonds7

About N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55009504) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55009504
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c1-2-13-5-6-17(15,16)14(8-3-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyAZNONLSKGODCPU-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.95
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 N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55009504) is N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCNCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is AZNONLSKGODCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-2-13-5-6-17(15,16)14(8-3-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55009504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).