hept-6-ene-1-sulfonamide

C7H15NO2S — CID 59127683

IUPAChept-6-ene-1-sulfonamide
SMILESC=CCCCCCS(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-2-3-4-5-6-7-11(8,9)10/h2H,1,3-7H2,(H2,8,9,10)
InChIKeyPJPQEMQFDCNBIG-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.02
Rot. Bonds6

About hept-6-ene-1-sulfonamide

hept-6-ene-1-sulfonamide (PubChem CID 59127683) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is hept-6-ene-1-sulfonamide.

Molecular Properties

Compound Namehept-6-ene-1-sulfonamide
PubChem CID59127683
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namehept-6-ene-1-sulfonamide
SMILESC=CCCCCCS(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-2-3-4-5-6-7-11(8,9)10/h2H,1,3-7H2,(H2,8,9,10)
InChIKeyPJPQEMQFDCNBIG-UHFFFAOYSA-N
XLogP1.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-6-ene-1-sulfonamide?
The IUPAC name of hept-6-ene-1-sulfonamide (CID 59127683) is hept-6-ene-1-sulfonamide.
What is the SMILES notation for hept-6-ene-1-sulfonamide?
The canonical SMILES for hept-6-ene-1-sulfonamide is C=CCCCCCS(N)(=O)=O.
What is the InChIKey of hept-6-ene-1-sulfonamide?
The InChIKey is PJPQEMQFDCNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-4-5-6-7-11(8,9)10/h2H,1,3-7H2,(H2,8,9,10).
What are the key properties of hept-6-ene-1-sulfonamide?
hept-6-ene-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-ene-1-sulfonamide is sourced from PubChem (CID 59127683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).