N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide

C7H11F3N2O3S2 — CID 20722946

IUPACN-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCN(CC(N)=S)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3S2/c1-17(14,15)3-2-12(4-5(11)16)6(13)7(8,9)10/h2-4H2,1H3,(H2,11,16)
InChIKeyZXDMTUJCPBAVPK-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.29
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide

N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide (PubChem CID 20722946) has the molecular formula C7H11F3N2O3S2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide
PubChem CID20722946
Molecular FormulaC7H11F3N2O3S2
Molecular Weight292.30 g/mol
Exact Mass292.02
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCN(CC(N)=S)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3S2/c1-17(14,15)3-2-12(4-5(11)16)6(13)7(8,9)10/h2-4H2,1H3,(H2,11,16)
InChIKeyZXDMTUJCPBAVPK-UHFFFAOYSA-N
XLogP-0.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide (CID 20722946) is N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCN(CC(N)=S)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is ZXDMTUJCPBAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S2/c1-17(14,15)3-2-12(4-5(11)16)6(13)7(8,9)10/h2-4H2,1H3,(H2,11,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 292.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 20722946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).