(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene

C7H13BrN2O2S — CID 123796977

IUPAC(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene
SMILESCC(/C=C(\C)Br)=NS(=O)(=O)N(C)C
InChIInChI=1S/C7H13BrN2O2S/c1-6(8)5-7(2)9-13(11,12)10(3)4/h5H,1-4H3/b6-5+,9-7?
InChIKeyRCSAIAPGWITAFE-CZUXNWOBSA-N
MW269.16 g/mol
LogP1.55
Rot. Bonds3

About (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene

(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene (PubChem CID 123796977) has the molecular formula C7H13BrN2O2S and a molecular weight of 269.16 g/mol. Its IUPAC name is (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene
PubChem CID123796977
Molecular FormulaC7H13BrN2O2S
Molecular Weight269.16 g/mol
Exact Mass267.99
IUPAC Name(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene
SMILESCC(/C=C(\C)Br)=NS(=O)(=O)N(C)C
InChIInChI=1S/C7H13BrN2O2S/c1-6(8)5-7(2)9-13(11,12)10(3)4/h5H,1-4H3/b6-5+,9-7?
InChIKeyRCSAIAPGWITAFE-CZUXNWOBSA-N
XLogP1.55
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.55
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 (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene?
The IUPAC name of (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene (CID 123796977) is (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene.
What is the SMILES notation for (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene?
The canonical SMILES for (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene is CC(/C=C(\C)Br)=NS(=O)(=O)N(C)C.
What is the InChIKey of (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene?
The InChIKey is RCSAIAPGWITAFE-CZUXNWOBSA-N. The full InChI is InChI=1S/C7H13BrN2O2S/c1-6(8)5-7(2)9-13(11,12)10(3)4/h5H,1-4H3/b6-5+,9-7?.
What are the key properties of (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene?
(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene has a molecular weight of 269.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene is sourced from PubChem (CID 123796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).