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

C18H18F3NOS — CID 67981053

IUPAC(R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NOS/c1-17(2,3)24(23)22-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,1-3H3/t24-/m1/s1
InChIKeyMDORXQAXYHNWQS-XMMPIXPASA-N
MW353.41 g/mol
LogP5.25
Rot. Bonds3

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

(R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide (PubChem CID 67981053) has the molecular formula C18H18F3NOS and a molecular weight of 353.41 g/mol. Its IUPAC name is (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide
PubChem CID67981053
Molecular FormulaC18H18F3NOS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name(R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NOS/c1-17(2,3)24(23)22-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,1-3H3/t24-/m1/s1
InChIKeyMDORXQAXYHNWQS-XMMPIXPASA-N
XLogP5.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 55.25
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 (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide (CID 67981053) is (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide?
The InChIKey is MDORXQAXYHNWQS-XMMPIXPASA-N. The full InChI is InChI=1S/C18H18F3NOS/c1-17(2,3)24(23)22-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,1-3H3/t24-/m1/s1.
What are the key properties of (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide has a molecular weight of 353.41 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 67981053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).