(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide

C12H15F3N2OS — CID 150020885

IUPAC(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cnccc1CC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(2,3)19(18)17-8-10-7-16-5-4-9(10)6-12(13,14)15/h4-5,7-8H,6H2,1-3H3/t19-/m1/s1
InChIKeyDFFPWYUTHZNQDR-LJQANCHMSA-N
MW292.33 g/mol
LogP3.07
Rot. Bonds3

About (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide (PubChem CID 150020885) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
PubChem CID150020885
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cnccc1CC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(2,3)19(18)17-8-10-7-16-5-4-9(10)6-12(13,14)15/h4-5,7-8H,6H2,1-3H3/t19-/m1/s1
InChIKeyDFFPWYUTHZNQDR-LJQANCHMSA-N
XLogP3.07
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide (CID 150020885) is (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cnccc1CC(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The InChIKey is DFFPWYUTHZNQDR-LJQANCHMSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(2,3)19(18)17-8-10-7-16-5-4-9(10)6-12(13,14)15/h4-5,7-8H,6H2,1-3H3/t19-/m1/s1.
What are the key properties of (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide has a molecular weight of 292.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 150020885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).