2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide

C9H17F3N2O2S — CID 114233440

IUPAC2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-6(2)14-8(15)5-17(16)7(3-4-13)9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyAASABGYHHZOUSY-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.54
Rot. Bonds6

About 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide

2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide (PubChem CID 114233440) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide
PubChem CID114233440
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-6(2)14-8(15)5-17(16)7(3-4-13)9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyAASABGYHHZOUSY-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide (CID 114233440) is 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide is CC(C)NC(=O)CS(=O)C(CCN)C(F)(F)F.
What is the InChIKey of 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide?
The InChIKey is AASABGYHHZOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-6(2)14-8(15)5-17(16)7(3-4-13)9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide?
2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide has a molecular weight of 274.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114233440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).