N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide

C10H13F2N3O2S — CID 162509680

IUPACN-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc(OC(F)F)nc1
InChIInChI=1S/C10H13F2N3O2S/c1-10(2,3)18(16)15-6-7-4-13-9(14-5-7)17-8(11)12/h4-6,8H,1-3H3
InChIKeyFPRYNSBZLXERNK-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.96
Rot. Bonds4

About N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide

N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 162509680) has the molecular formula C10H13F2N3O2S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID162509680
Molecular FormulaC10H13F2N3O2S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC NameN-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cnc(OC(F)F)nc1
InChIInChI=1S/C10H13F2N3O2S/c1-10(2,3)18(16)15-6-7-4-13-9(14-5-7)17-8(11)12/h4-6,8H,1-3H3
InChIKeyFPRYNSBZLXERNK-UHFFFAOYSA-N
XLogP1.96
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.96
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)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 139428074
(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,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448
N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167614204
(NE,R)-N-[[5-(difluoromethoxy)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 134586070
3-(difluoromethoxy)benzaldehyde;(R)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
CID 157062052
(NE)-N-[[6-bromo-2-(difluoromethoxy)-3-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 178170369
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
CID 86711991
(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 172783759
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 162509680) is N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1cnc(OC(F)F)nc1.
What is the InChIKey of N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FPRYNSBZLXERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2S/c1-10(2,3)18(16)15-6-7-4-13-9(14-5-7)17-8(11)12/h4-6,8H,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 277.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162509680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).