2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O2S — CID 81195692

IUPAC2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CCN)S(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-6(2-3-12)16(15)4-7(14)13-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyCHTJHWLCYUDCME-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.15
Rot. Bonds6

About 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81195692) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81195692
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CCN)S(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-6(2-3-12)16(15)4-7(14)13-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyCHTJHWLCYUDCME-UHFFFAOYSA-N
XLogP0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81189999
2-(4-aminobutan-2-ylsulfinyl)-N-(2-cyanoethyl)acetamide
CID 81194531
2-(4-amino-1,1,1-trifluorobutan-2-yl)sulfinyl-N-propan-2-ylacetamide
CID 114233440
2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
CID 81187704
2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide
CID 81187012
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylpropanoic acid
CID 61492576
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 118369505
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492715

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81195692) is 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(CCN)S(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CHTJHWLCYUDCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-6(2-3-12)16(15)4-7(14)13-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 260.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81195692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).