(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide

C11H23NO2S — CID 153306892

IUPAC(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
SMILESCC(C)/C=C/CCS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+
InChIKeyJZQGPUUULTVSGA-FNORWQNLSA-N
MW233.38 g/mol
LogP2.16
Rot. Bonds7

About (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide

(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide (PubChem CID 153306892) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
PubChem CID153306892
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
SMILESCC(C)/C=C/CCS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+
InChIKeyJZQGPUUULTVSGA-FNORWQNLSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The IUPAC name of (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide (CID 153306892) is (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The canonical SMILES for (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide is CC(C)/C=C/CCS(=O)(=O)NCC(C)C.
What is the InChIKey of (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The InChIKey is JZQGPUUULTVSGA-FNORWQNLSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide is sourced from PubChem (CID 153306892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).