(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide

C10H19NO2S — CID 56942411

IUPAC(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2)6-5-7-10(3)8-14(12,13)11-4/h6,8,11H,5,7H2,1-4H3/b10-8-
InChIKeyLSSRHEDYTNQXIZ-NTMALXAHSA-N
MW217.33 g/mol
LogP2.19
Rot. Bonds5

About (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide

(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide (PubChem CID 56942411) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
PubChem CID56942411
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2)6-5-7-10(3)8-14(12,13)11-4/h6,8,11H,5,7H2,1-4H3/b10-8-
InChIKeyLSSRHEDYTNQXIZ-NTMALXAHSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.19
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 (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide?
The IUPAC name of (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide (CID 56942411) is (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide.
What is the SMILES notation for (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide?
The canonical SMILES for (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide is CNS(=O)(=O)/C=C(/C)CCC=C(C)C.
What is the InChIKey of (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide?
The InChIKey is LSSRHEDYTNQXIZ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)6-5-7-10(3)8-14(12,13)11-4/h6,8,11H,5,7H2,1-4H3/b10-8-.
What are the key properties of (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide?
(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide is sourced from PubChem (CID 56942411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).