(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide

C15H17N3O2S — CID 89479374

IUPAC(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc(Oc2cncnc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-15(2,3)21(19)18-8-12-4-6-13(7-5-12)20-14-9-16-11-17-10-14/h4-11H,1-3H3/b18-8+/t21-/m1/s1
InChIKeyXFHTWOCOWZUAOD-DPJUBJNGSA-N
MW303.39 g/mol
LogP3.15
Rot. Bonds4

About (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide

(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide (PubChem CID 89479374) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
PubChem CID89479374
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc(Oc2cncnc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-15(2,3)21(19)18-8-12-4-6-13(7-5-12)20-14-9-16-11-17-10-14/h4-11H,1-3H3/b18-8+/t21-/m1/s1
InChIKeyXFHTWOCOWZUAOD-DPJUBJNGSA-N
XLogP3.15
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide
CID 163337745
(R)-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 151898309
(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
CID 58570940
(R)-2-methyl-N-[[3-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135366756
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
(R)-N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503979
N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503978
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(NE,R)-2-methyl-N-[[3-(3-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135367476

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide (CID 89479374) is (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccc(Oc2cncnc2)cc1.
What is the InChIKey of (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide?
The InChIKey is XFHTWOCOWZUAOD-DPJUBJNGSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-15(2,3)21(19)18-8-12-4-6-13(7-5-12)20-14-9-16-11-17-10-14/h4-11H,1-3H3/b18-8+/t21-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide?
(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide has a molecular weight of 303.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 89479374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).