2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide

C9H14F3N3OS — CID 163294704

IUPAC2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C9H14F3N3OS/c1-8(2,3)17(16)15-4-6-7(9(10,11)12)14-5-13-6/h5,15H,4H2,1-3H3,(H,13,14)
InChIKeyQYQJSSSAPMHXRE-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide

2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide (PubChem CID 163294704) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide
PubChem CID163294704
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C9H14F3N3OS/c1-8(2,3)17(16)15-4-6-7(9(10,11)12)14-5-13-6/h5,15H,4H2,1-3H3,(H,13,14)
InChIKeyQYQJSSSAPMHXRE-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide (CID 163294704) is 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide is CC(C)(C)S(=O)NCc1[nH]cnc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide?
The InChIKey is QYQJSSSAPMHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-8(2,3)17(16)15-4-6-7(9(10,11)12)14-5-13-6/h5,15H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide?
2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide has a molecular weight of 269.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide is sourced from PubChem (CID 163294704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).