(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

C10H13BrClNOS2 — CID 89095279

IUPAC(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1sc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3/b13-6+/t16-/m1/s1
InChIKeyPKZQPYYULKJALX-MSXUNZPYSA-N
MW342.71 g/mol
LogP4.44
Rot. Bonds2

About (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 89095279) has the molecular formula C10H13BrClNOS2 and a molecular weight of 342.71 g/mol. Its IUPAC name is (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID89095279
Molecular FormulaC10H13BrClNOS2
Molecular Weight342.71 g/mol
Exact Mass340.93
IUPAC Name(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1sc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3/b13-6+/t16-/m1/s1
InChIKeyPKZQPYYULKJALX-MSXUNZPYSA-N
XLogP4.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 54.44
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 (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 89095279) is (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)C)c1sc(Br)cc1Cl.
What is the InChIKey of (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PKZQPYYULKJALX-MSXUNZPYSA-N. The full InChI is InChI=1S/C10H13BrClNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3/b13-6+/t16-/m1/s1.
What are the key properties of (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 342.71 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89095279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).