N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride

C7H14ClF3N2OS — CID 119430355

IUPACN-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCNCCCNC(=O)CSC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2OS.ClH/c1-11-3-2-4-12-6(13)5-14-7(8,9)10;/h11H,2-5H2,1H3,(H,12,13);1H
InChIKeyXFPILEZLPOWMSX-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.39
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride

N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (PubChem CID 119430355) has the molecular formula C7H14ClF3N2OS and a molecular weight of 266.72 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
PubChem CID119430355
Molecular FormulaC7H14ClF3N2OS
Molecular Weight266.72 g/mol
Exact Mass266.05
IUPAC NameN-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCNCCCNC(=O)CSC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2OS.ClH/c1-11-3-2-4-12-6(13)5-14-7(8,9)10;/h11H,2-5H2,1H3,(H,12,13);1H
InChIKeyXFPILEZLPOWMSX-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(trifluoromethylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731477
N-[3-(methylamino)propyl]butanamide
CID 43600791
2-methyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanoic acid
CID 115731360
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
N-(3-aminopropyl)-2-tert-butylsulfanylacetamide
CID 62268274
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (CID 119430355) is N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride is CNCCCNC(=O)CSC(F)(F)F.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The InChIKey is XFPILEZLPOWMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS.ClH/c1-11-3-2-4-12-6(13)5-14-7(8,9)10;/h11H,2-5H2,1H3,(H,12,13);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride has a molecular weight of 266.72 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(trifluoromethylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 119430355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).