[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone

C12H15F3N2OS2 — CID 103509457

IUPAC[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CC(F)(F)F)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H15F3N2OS2/c1-17(5-12(13,14)15)11-10(19-2)7(16)9(20-11)8(18)6-3-4-6/h6H,3-5,16H2,1-2H3
InChIKeyYLWMVJSGCJANHD-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.64
Rot. Bonds5

About [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103509457) has the molecular formula C12H15F3N2OS2 and a molecular weight of 324.39 g/mol. Its IUPAC name is [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103509457
Molecular FormulaC12H15F3N2OS2
Molecular Weight324.39 g/mol
Exact Mass324.06
IUPAC Name[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CC(F)(F)F)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H15F3N2OS2/c1-17(5-12(13,14)15)11-10(19-2)7(16)9(20-11)8(18)6-3-4-6/h6H,3-5,16H2,1-2H3
InChIKeyYLWMVJSGCJANHD-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103509457) is [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone is CSc1c(N(C)CC(F)(F)F)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is YLWMVJSGCJANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS2/c1-17(5-12(13,14)15)11-10(19-2)7(16)9(20-11)8(18)6-3-4-6/h6H,3-5,16H2,1-2H3.
What are the key properties of [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 324.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103509457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).