2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H19F3N2O2S — CID 113493459

IUPAC2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCS(C)=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-7(4-5-18(3)17)15-8(2)9(16)14-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyZFOAYORNVLAXSC-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.80
Rot. Bonds7

About 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113493459) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113493459
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCS(C)=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-7(4-5-18(3)17)15-8(2)9(16)14-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyZFOAYORNVLAXSC-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113493459) is 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(CCS(C)=O)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZFOAYORNVLAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-7(4-5-18(3)17)15-8(2)9(16)14-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113493459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).