2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide

C10H19F3N2OS — CID 167116966

IUPAC2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
SMILESCN1CC(C(NS(=O)C(C)(C)C)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2OS/c1-9(2,3)17(16)14-8(10(11,12)13)7-5-15(4)6-7/h7-8,14H,5-6H2,1-4H3
InChIKeyWXJBHCQIYAPNIK-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide (PubChem CID 167116966) has the molecular formula C10H19F3N2OS and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
PubChem CID167116966
Molecular FormulaC10H19F3N2OS
Molecular Weight272.34 g/mol
Exact Mass272.12
IUPAC Name2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
SMILESCN1CC(C(NS(=O)C(C)(C)C)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2OS/c1-9(2,3)17(16)14-8(10(11,12)13)7-5-15(4)6-7/h7-8,14H,5-6H2,1-4H3
InChIKeyWXJBHCQIYAPNIK-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide (CID 167116966) is 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide is CN1CC(C(NS(=O)C(C)(C)C)C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The InChIKey is WXJBHCQIYAPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2OS/c1-9(2,3)17(16)14-8(10(11,12)13)7-5-15(4)6-7/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide has a molecular weight of 272.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,2,2-trifluoro-1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 167116966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).