2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide

C12H20F3NOS — CID 171775288

IUPAC2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NOS/c1-11(2,3)18(17)16-8-9-4-6-10(7-5-9)12(13,14)15/h8-10H,4-7H2,1-3H3
InChIKeyNJFBJIVHGFPQJH-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.89
Rot. Bonds2

About 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide

2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide (PubChem CID 171775288) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide
PubChem CID171775288
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NOS/c1-11(2,3)18(17)16-8-9-4-6-10(7-5-9)12(13,14)15/h8-10H,4-7H2,1-3H3
InChIKeyNJFBJIVHGFPQJH-UHFFFAOYSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.89
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 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide (CID 171775288) is 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide is CC(C)(C)S(=O)N=CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide?
The InChIKey is NJFBJIVHGFPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c1-11(2,3)18(17)16-8-9-4-6-10(7-5-9)12(13,14)15/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide?
2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide has a molecular weight of 283.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 171775288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).