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

C9H19F3N2O2S — CID 55009649

IUPAC2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCNCC
InChIInChI=1S/C9H19F3N2O2S/c1-3-6-14(8-9(10,11)12)17(15,16)7-5-13-4-2/h13H,3-8H2,1-2H3
InChIKeyVFPYMJNSSZZKTQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.20
Rot. Bonds8

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

2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55009649) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55009649
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCNCC
InChIInChI=1S/C9H19F3N2O2S/c1-3-6-14(8-9(10,11)12)17(15,16)7-5-13-4-2/h13H,3-8H2,1-2H3
InChIKeyVFPYMJNSSZZKTQ-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55009649) is 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)CCNCC.
What is the InChIKey of 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is VFPYMJNSSZZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-3-6-14(8-9(10,11)12)17(15,16)7-5-13-4-2/h13H,3-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55009649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).