2,6-dimethyloct-7-ene-4-sulfonamide

C10H21NO2S — CID 166665383

IUPAC2,6-dimethyloct-7-ene-4-sulfonamide
SMILESC=CC(C)CC(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13)
InChIKeyAFJIIKFVYOXHCE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.90
Rot. Bonds6

About 2,6-dimethyloct-7-ene-4-sulfonamide

2,6-dimethyloct-7-ene-4-sulfonamide (PubChem CID 166665383) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,6-dimethyloct-7-ene-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyloct-7-ene-4-sulfonamide
PubChem CID166665383
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2,6-dimethyloct-7-ene-4-sulfonamide
SMILESC=CC(C)CC(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13)
InChIKeyAFJIIKFVYOXHCE-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.90
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 2,6-dimethyloct-7-ene-4-sulfonamide?
The IUPAC name of 2,6-dimethyloct-7-ene-4-sulfonamide (CID 166665383) is 2,6-dimethyloct-7-ene-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyloct-7-ene-4-sulfonamide?
The canonical SMILES for 2,6-dimethyloct-7-ene-4-sulfonamide is C=CC(C)CC(CC(C)C)S(N)(=O)=O.
What is the InChIKey of 2,6-dimethyloct-7-ene-4-sulfonamide?
The InChIKey is AFJIIKFVYOXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13).
What are the key properties of 2,6-dimethyloct-7-ene-4-sulfonamide?
2,6-dimethyloct-7-ene-4-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-7-ene-4-sulfonamide is sourced from PubChem (CID 166665383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).