2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2OS — CID 103779301

IUPAC2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSC1CCCCC1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c1-18-9-5-3-2-4-8(9)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyJDUYHEKPAIVZPP-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.93
Rot. Bonds5

About 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103779301) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103779301
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSC1CCCCC1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c1-18-9-5-3-2-4-8(9)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyJDUYHEKPAIVZPP-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 103779301) is 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CSC1CCCCC1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JDUYHEKPAIVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-18-9-5-3-2-4-8(9)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).