2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2O2S — CID 81189999

IUPAC2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(N)CS(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-5(11)2-15(14)3-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHAWPDZYUJVYXHC-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.24
Rot. Bonds5

About 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81189999) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81189999
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(N)CS(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-5(11)2-15(14)3-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHAWPDZYUJVYXHC-UHFFFAOYSA-N
XLogP-0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81195692
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylpropanoic acid
CID 61492576
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 118369505
3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide
CID 81188958
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
3-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]butanoic acid
CID 120522738
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115659689
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81189999) is 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(N)CS(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HAWPDZYUJVYXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-5(11)2-15(14)3-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 246.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81189999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).