2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide

C7H14F3NOS — CID 132504791

IUPAC2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-5(7(8,9)10)11-13(12)6(2,3)4/h5,11H,1-4H3/t5-,13?/m1/s1
InChIKeyCVHUSJRMKLNCST-LJYRTBSXSA-N
MW217.26 g/mol
LogP1.99
Rot. Bonds2

About 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide (PubChem CID 132504791) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide
PubChem CID132504791
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-5(7(8,9)10)11-13(12)6(2,3)4/h5,11H,1-4H3/t5-,13?/m1/s1
InChIKeyCVHUSJRMKLNCST-LJYRTBSXSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide (CID 132504791) is 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide?
The InChIKey is CVHUSJRMKLNCST-LJYRTBSXSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-5(7(8,9)10)11-13(12)6(2,3)4/h5,11H,1-4H3/t5-,13?/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide has a molecular weight of 217.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 132504791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).