2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O2S — CID 113486435

IUPAC2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CS(C)=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-6(4-17(3)16)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySJIQYRIJNCXBNQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.41
Rot. Bonds6

About 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113486435) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113486435
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CS(C)=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-6(4-17(3)16)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySJIQYRIJNCXBNQ-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113486435) is 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(CS(C)=O)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SJIQYRIJNCXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-6(4-17(3)16)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 274.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113486435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).