2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide

C10H12F3N3OS — CID 66661036

IUPAC2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3OS/c1-9(2,3)18(17)16-6-7-4-14-8(15-5-7)10(11,12)13/h4-6H,1-3H3
InChIKeyUYDYCMCUOKKCEC-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide

2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide (PubChem CID 66661036) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide
PubChem CID66661036
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3OS/c1-9(2,3)18(17)16-6-7-4-14-8(15-5-7)10(11,12)13/h4-6H,1-3H3
InChIKeyUYDYCMCUOKKCEC-UHFFFAOYSA-N
XLogP2.38
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.38
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 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide (CID 66661036) is 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide?
The InChIKey is UYDYCMCUOKKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-9(2,3)18(17)16-6-7-4-14-8(15-5-7)10(11,12)13/h4-6H,1-3H3.
What are the key properties of 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide?
2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide has a molecular weight of 279.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 66661036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).