(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide

C10H14F3N3OS — CID 67247279

IUPAC(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
SMILESCn1ncc(C=N[S@](=O)C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)15-6-7-5-14-16(4)8(7)10(11,12)13/h5-6H,1-4H3/t18-/m1/s1
InChIKeyIOQOUXVSPUJQFJ-GOSISDBHSA-N
MW281.30 g/mol
LogP2.32
Rot. Bonds2

About (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide (PubChem CID 67247279) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
PubChem CID67247279
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
SMILESCn1ncc(C=N[S@](=O)C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)15-6-7-5-14-16(4)8(7)10(11,12)13/h5-6H,1-4H3/t18-/m1/s1
InChIKeyIOQOUXVSPUJQFJ-GOSISDBHSA-N
XLogP2.32
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide (CID 67247279) is (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide is Cn1ncc(C=N[S@](=O)C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The InChIKey is IOQOUXVSPUJQFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)15-6-7-5-14-16(4)8(7)10(11,12)13/h5-6H,1-4H3/t18-/m1/s1.
What are the key properties of (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide has a molecular weight of 281.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 67247279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).