(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide

C16H22F6N2OS2 — CID 166045460

IUPAC(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F6N2OS2/c1-14(2,3)27(25)24-12(11-8-26-13(23-11)16(20,21)22)9-4-6-10(7-5-9)15(17,18)19/h8-10,12,24H,4-7H2,1-3H3/t9?,10?,12?,27-/m1/s1
InChIKeyJILZIRGMOMTJFR-DYGXAUGPSA-N
MW436.49 g/mol
LogP5.62
Rot. Bonds4

About (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide

(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide (PubChem CID 166045460) has the molecular formula C16H22F6N2OS2 and a molecular weight of 436.49 g/mol. Its IUPAC name is (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide
PubChem CID166045460
Molecular FormulaC16H22F6N2OS2
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F6N2OS2/c1-14(2,3)27(25)24-12(11-8-26-13(23-11)16(20,21)22)9-4-6-10(7-5-9)15(17,18)19/h8-10,12,24H,4-7H2,1-3H3/t9?,10?,12?,27-/m1/s1
InChIKeyJILZIRGMOMTJFR-DYGXAUGPSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide (CID 166045460) is (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide?
The InChIKey is JILZIRGMOMTJFR-DYGXAUGPSA-N. The full InChI is InChI=1S/C16H22F6N2OS2/c1-14(2,3)27(25)24-12(11-8-26-13(23-11)16(20,21)22)9-4-6-10(7-5-9)15(17,18)19/h8-10,12,24H,4-7H2,1-3H3/t9?,10?,12?,27-/m1/s1.
What are the key properties of (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide?
(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide has a molecular weight of 436.49 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide is sourced from PubChem (CID 166045460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).