N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

C11H22F3NO3S — CID 89281514

IUPACN-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-4-5-6-15(10(2)3)19(16,17)8-7-18-9-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyGVGNAMCCJZRTMA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.41
Rot. Bonds9

About N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (PubChem CID 89281514) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
PubChem CID89281514
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC NameN-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-4-5-6-15(10(2)3)19(16,17)8-7-18-9-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyGVGNAMCCJZRTMA-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The IUPAC name of N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (CID 89281514) is N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The canonical SMILES for N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is CCCCN(C(C)C)S(=O)(=O)CCOCC(F)(F)F.
What is the InChIKey of N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The InChIKey is GVGNAMCCJZRTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-4-5-6-15(10(2)3)19(16,17)8-7-18-9-11(12,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 89281514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).