dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium

C7H13F3NOS+ — CID 172843562

IUPACdimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
SMILESC[S+](C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-13(2)5-3-4-11-6(12)7(8,9)10/h3-5H2,1-2H3/p+1
InChIKeyXCRIAVIBFRBTPF-UHFFFAOYSA-O
MW216.25 g/mol
LogP0.93
Rot. Bonds4

About dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium

dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium (PubChem CID 172843562) has the molecular formula C7H13F3NOS+ and a molecular weight of 216.25 g/mol. Its IUPAC name is dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
PubChem CID172843562
Molecular FormulaC7H13F3NOS+
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC Namedimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
SMILESC[S+](C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-13(2)5-3-4-11-6(12)7(8,9)10/h3-5H2,1-2H3/p+1
InChIKeyXCRIAVIBFRBTPF-UHFFFAOYSA-O
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
CID 130165694
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
CID 11668829
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium?
The IUPAC name of dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium (CID 172843562) is dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium.
What is the SMILES notation for dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium?
The canonical SMILES for dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium is C[S+](C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium?
The InChIKey is XCRIAVIBFRBTPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12F3NOS/c1-13(2)5-3-4-11-6(12)7(8,9)10/h3-5H2,1-2H3/p+1.
What are the key properties of dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium?
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium has a molecular weight of 216.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium is sourced from PubChem (CID 172843562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).