2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H19F3N2O2S — CID 55009797

IUPAC2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H19F3N2O2S/c1-4-13-5-6-17(15,16)14(8(2)3)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyDXJWXOKCYTWMMN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.20
Rot. Bonds7

About 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55009797) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55009797
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H19F3N2O2S/c1-4-13-5-6-17(15,16)14(8(2)3)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyDXJWXOKCYTWMMN-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.20
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-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55009797) is 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCNCCS(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is DXJWXOKCYTWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-4-13-5-6-17(15,16)14(8(2)3)7-9(10,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55009797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).