2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride

C5H10ClF3N2OS — CID 130236337

IUPAC2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride
SMILESCl.NC(=O)C(N)CSCC(F)(F)F
InChIInChI=1S/C5H9F3N2OS.ClH/c6-5(7,8)2-12-1-3(9)4(10)11;/h3H,1-2,9H2,(H2,10,11);1H
InChIKeyMFFDTYHJKZNEAY-UHFFFAOYSA-N
MW238.66 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride

2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride (PubChem CID 130236337) has the molecular formula C5H10ClF3N2OS and a molecular weight of 238.66 g/mol. Its IUPAC name is 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride
PubChem CID130236337
Molecular FormulaC5H10ClF3N2OS
Molecular Weight238.66 g/mol
Exact Mass238.02
IUPAC Name2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride
SMILESCl.NC(=O)C(N)CSCC(F)(F)F
InChIInChI=1S/C5H9F3N2OS.ClH/c6-5(7,8)2-12-1-3(9)4(10)11;/h3H,1-2,9H2,(H2,10,11);1H
InChIKeyMFFDTYHJKZNEAY-UHFFFAOYSA-N
XLogP0.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.66
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate
CID 151776554
3-amino-5,5,5-trifluoro-2-oxopentanamide
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1-(2,2,2-trifluoroethylsulfanyl)propan-2-amine
CID 66219470
(2R)-2-aminobutanamide;2,2,2-trifluoroacetic acid
CID 134211723
tert-butyl N-[(2R)-1-amino-1-oxo-3-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]carbamate
CID 130261667
2-amino-3-(6,6,6-trifluorohexylsulfanyl)propanoic acid
CID 123605968
2-aminobutanamide;hydrochloride
CID 14333659
2-amino-3-phenacylsulfanylpropanamide;hydrochloride
CID 68821201
2-(2,2,2-trifluoroethylsulfanyl)ethylurea
CID 138991840
2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide
CID 140746980
2-amino-3-hydroxypropanamide;hydrochloride
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2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride (CID 130236337) is 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride is Cl.NC(=O)C(N)CSCC(F)(F)F.
What is the InChIKey of 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride?
The InChIKey is MFFDTYHJKZNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2OS.ClH/c6-5(7,8)2-12-1-3(9)4(10)11;/h3H,1-2,9H2,(H2,10,11);1H.
What are the key properties of 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride?
2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride has a molecular weight of 238.66 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride is sourced from PubChem (CID 130236337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).