(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide

C11H18F3NOS — CID 176941351

IUPAC(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C1\CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NOS/c1-10(2,3)17(16)15-9-6-4-5-8(7-9)11(12,13)14/h8H,4-7H2,1-3H3/b15-9+
InChIKeyPWAGLQKLBZXFOR-OQLLNIDSSA-N
MW269.33 g/mol
LogP3.64
Rot. Bonds1

About (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide

(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide (PubChem CID 176941351) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide
PubChem CID176941351
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC Name(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C1\CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NOS/c1-10(2,3)17(16)15-9-6-4-5-8(7-9)11(12,13)14/h8H,4-7H2,1-3H3/b15-9+
InChIKeyPWAGLQKLBZXFOR-OQLLNIDSSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide (CID 176941351) is (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide is CC(C)(C)S(=O)/N=C1\CCCC(C(F)(F)F)C1.
What is the InChIKey of (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide?
The InChIKey is PWAGLQKLBZXFOR-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H18F3NOS/c1-10(2,3)17(16)15-9-6-4-5-8(7-9)11(12,13)14/h8H,4-7H2,1-3H3/b15-9+.
What are the key properties of (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide has a molecular weight of 269.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[3-(trifluoromethyl)cyclohexylidene]propane-2-sulfinamide is sourced from PubChem (CID 176941351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).