(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C10H12ClFN2OS — CID 86721098

IUPAC(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccnc(Cl)c1F
InChIInChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-6-7-4-5-13-9(11)8(7)12/h4-6H,1-3H3/t16-/m1/s1
InChIKeyVAAYKDYTMQWADS-MRXNPFEDSA-N
MW262.74 g/mol
LogP2.76
Rot. Bonds2

About (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 86721098) has the molecular formula C10H12ClFN2OS and a molecular weight of 262.74 g/mol. Its IUPAC name is (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID86721098
Molecular FormulaC10H12ClFN2OS
Molecular Weight262.74 g/mol
Exact Mass262.03
IUPAC Name(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccnc(Cl)c1F
InChIInChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-6-7-4-5-13-9(11)8(7)12/h4-6H,1-3H3/t16-/m1/s1
InChIKeyVAAYKDYTMQWADS-MRXNPFEDSA-N
XLogP2.76
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 86721098) is (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1ccnc(Cl)c1F.
What is the InChIKey of (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is VAAYKDYTMQWADS-MRXNPFEDSA-N. The full InChI is InChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-6-7-4-5-13-9(11)8(7)12/h4-6H,1-3H3/t16-/m1/s1.
What are the key properties of (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 262.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2-chloro-3-fluoro-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86721098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).