2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide

C11H13F3N2OS — CID 66661359

IUPAC2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2OS/c1-10(2,3)18(17)16-7-8-4-5-9(15-6-8)11(12,13)14/h4-7H,1-3H3
InChIKeyHVRZBPNQZMPCEO-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.98
Rot. Bonds2

About 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide

2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide (PubChem CID 66661359) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
PubChem CID66661359
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2OS/c1-10(2,3)18(17)16-7-8-4-5-9(15-6-8)11(12,13)14/h4-7H,1-3H3
InChIKeyHVRZBPNQZMPCEO-UHFFFAOYSA-N
XLogP2.98
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.98
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 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide (CID 66661359) is 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
The InChIKey is HVRZBPNQZMPCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-10(2,3)18(17)16-7-8-4-5-9(15-6-8)11(12,13)14/h4-7H,1-3H3.
What are the key properties of 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide?
2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide has a molecular weight of 278.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 66661359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).