2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O3S — CID 61384250

IUPAC2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCS(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-3-4-17(15,16)13(2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyBXMXNKNMUQHPTL-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.34
Rot. Bonds6

About 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61384250) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61384250
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCS(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-3-4-17(15,16)13(2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyBXMXNKNMUQHPTL-UHFFFAOYSA-N
XLogP0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61384250) is 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCS(=O)(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXMXNKNMUQHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-3-4-17(15,16)13(2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61384250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).