N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

C10H13BrFNOS2 — CID 123908069

IUPACN-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3
InChIKeyXCEFSXIAHDKCCV-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.92
Rot. Bonds2

About N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123908069) has the molecular formula C10H13BrFNOS2 and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID123908069
Molecular FormulaC10H13BrFNOS2
Molecular Weight326.26 g/mol
Exact Mass324.96
IUPAC NameN-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3
InChIKeyXCEFSXIAHDKCCV-UHFFFAOYSA-N
XLogP3.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-N-[1-(5-bromo-3-chlorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89095279
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(NE,S)-2-methyl-N-[1-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 51063977
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141
N-[1-(3-bromo-2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86715733
(NE,R)-N-[1-(6-bromo-3-fluoro-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89095383
(NE,S)-N-[1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 155265401
(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 131748352
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
(NE,R)-N-[1-(7-bromo-3-chlorothieno[2,3-c]pyridin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118424740
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139462983

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 123908069) is N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=NS(=O)C(C)(C)C)c1sc(Br)cc1F.
What is the InChIKey of N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is XCEFSXIAHDKCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNOS2/c1-6(13-16(14)10(2,3)4)9-7(12)5-8(11)15-9/h5H,1-4H3.
What are the key properties of N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 326.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123908069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).