2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide

C8H15F3N2S2 — CID 116615917

IUPAC2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide
SMILESCC(CN(C)CCSC(F)(F)F)C(N)=S
InChIInChI=1S/C8H15F3N2S2/c1-6(7(12)14)5-13(2)3-4-15-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,14)
InChIKeyFNSOVBXUKWLSTE-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.09
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide

2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide (PubChem CID 116615917) has the molecular formula C8H15F3N2S2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide
PubChem CID116615917
Molecular FormulaC8H15F3N2S2
Molecular Weight260.35 g/mol
Exact Mass260.06
IUPAC Name2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide
SMILESCC(CN(C)CCSC(F)(F)F)C(N)=S
InChIInChI=1S/C8H15F3N2S2/c1-6(7(12)14)5-13(2)3-4-15-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,14)
InChIKeyFNSOVBXUKWLSTE-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 60891382
CID 60891382
CID 61574839
CID 61574839
CID 61574867
CID 61574867
CID 61577710
CID 61577710
CID 61604276
CID 61604276
CID 61664595
CID 61664595
CID 61664842
CID 61664842
CID 64555045
CID 64555045
CID 64555047
CID 64555047
CID 64555228
CID 64555228
CID 103366444
CID 103366444
CID 103368472
CID 103368472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide (CID 116615917) is 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide is CC(CN(C)CCSC(F)(F)F)C(N)=S.
What is the InChIKey of 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide?
The InChIKey is FNSOVBXUKWLSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S2/c1-6(7(12)14)5-13(2)3-4-15-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide?
2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide has a molecular weight of 260.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanethioamide is sourced from PubChem (CID 116615917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).