2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2OS — CID 80721531

IUPAC2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3N2OS/c1-9(3-2-4-17-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyGVQODMSGQUKWJP-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80721531) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80721531
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3N2OS/c1-9(3-2-4-17-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyGVQODMSGQUKWJP-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 80721531) is 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(CNCC(=O)NCC(F)(F)F)CCCS1.
What is the InChIKey of 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GVQODMSGQUKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-9(3-2-4-17-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylthiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).