(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine

C8H15NO2S — CID 142030276

IUPAC(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine
SMILESCC/C(C)=C(\C=N\C)S(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-5-7(2)8(6-9-3)12(4,10)11/h6H,5H2,1-4H3/b8-7+,9-6+
InChIKeyQTPWSSCGSALKKY-KHHFIZIMSA-N
MW189.28 g/mol
LogP1.42
Rot. Bonds3

About (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine

(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine (PubChem CID 142030276) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine
PubChem CID142030276
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine
SMILESCC/C(C)=C(\C=N\C)S(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-5-7(2)8(6-9-3)12(4,10)11/h6H,5H2,1-4H3/b8-7+,9-6+
InChIKeyQTPWSSCGSALKKY-KHHFIZIMSA-N
XLogP1.42
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.42
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 (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine?
The IUPAC name of (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine (CID 142030276) is (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine.
What is the SMILES notation for (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine?
The canonical SMILES for (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine is CC/C(C)=C(\C=N\C)S(C)(=O)=O.
What is the InChIKey of (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine?
The InChIKey is QTPWSSCGSALKKY-KHHFIZIMSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5-7(2)8(6-9-3)12(4,10)11/h6H,5H2,1-4H3/b8-7+,9-6+.
What are the key properties of (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine?
(E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine has a molecular weight of 189.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-2-methylsulfonylpent-2-en-1-imine is sourced from PubChem (CID 142030276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).