N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

C10H14FN3OS — CID 139462983

IUPACN-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3OS/c1-7(14-16(15)10(2,3)4)9-12-5-8(11)6-13-9/h5-6H,1-4H3
InChIKeyHJNKUVMYSMIEJP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.89
Rot. Bonds2

About N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 139462983) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID139462983
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC NameN-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3OS/c1-7(14-16(15)10(2,3)4)9-12-5-8(11)6-13-9/h5-6H,1-4H3
InChIKeyHJNKUVMYSMIEJP-UHFFFAOYSA-N
XLogP1.89
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.89
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 N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 139462983) is N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=NS(=O)C(C)(C)C)c1ncc(F)cn1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HJNKUVMYSMIEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-7(14-16(15)10(2,3)4)9-12-5-8(11)6-13-9/h5-6H,1-4H3.
What are the key properties of N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 243.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139462983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).