2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide

C14H16F3NOS — CID 123438705

IUPAC2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1=CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12-7-5-9-4-6-10(8-11(9)12)14(15,16)17/h4,6-8,18H,5H2,1-3H3
InChIKeyFEOKKJKNHJEQCH-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.65
Rot. Bonds2

About 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide

2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide (PubChem CID 123438705) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide
PubChem CID123438705
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1=CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12-7-5-9-4-6-10(8-11(9)12)14(15,16)17/h4,6-8,18H,5H2,1-3H3
InChIKeyFEOKKJKNHJEQCH-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide (CID 123438705) is 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide is CC(C)(C)S(=O)NC1=CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide?
The InChIKey is FEOKKJKNHJEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12-7-5-9-4-6-10(8-11(9)12)14(15,16)17/h4,6-8,18H,5H2,1-3H3.
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide?
2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide has a molecular weight of 303.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 123438705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).