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

C10H16F3N3OS — CID 146326508

IUPAC2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide
SMILESCn1nccc1C(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-9(2,3)18(17)15-8(10(11,12)13)7-5-6-14-16(7)4/h5-6,8,15H,1-4H3
InChIKeyHMDVVGXWTKVICX-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.08
Rot. Bonds3

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

2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide (PubChem CID 146326508) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide
PubChem CID146326508
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide
SMILESCn1nccc1C(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-9(2,3)18(17)15-8(10(11,12)13)7-5-6-14-16(7)4/h5-6,8,15H,1-4H3
InChIKeyHMDVVGXWTKVICX-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide (CID 146326508) is 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide is Cn1nccc1C(NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide?
The InChIKey is HMDVVGXWTKVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-9(2,3)18(17)15-8(10(11,12)13)7-5-6-14-16(7)4/h5-6,8,15H,1-4H3.
What are the key properties of 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide has a molecular weight of 283.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 146326508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).