N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C9H18F3NO2S — CID 61383739

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-4-5-16(14,15)13(6-8(2)3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyUZVDIIMCMJRLAY-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.25
Rot. Bonds6

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 61383739) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID61383739
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-4-5-16(14,15)13(6-8(2)3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyUZVDIIMCMJRLAY-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 61383739) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is UZVDIIMCMJRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-4-5-16(14,15)13(6-8(2)3)7-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 61383739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).