(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide

C9H17NO2S — CID 56942413

IUPAC(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C/S(N)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-8(2)5-4-6-9(3)7-13(10,11)12/h5,7H,4,6H2,1-3H3,(H2,10,11,12)/b9-7+
InChIKeyIMAPKCUDRYUNRE-VQHVLOKHSA-N
MW203.31 g/mol
LogP1.93
Rot. Bonds4

About (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide

(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide (PubChem CID 56942413) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide
PubChem CID56942413
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C/S(N)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-8(2)5-4-6-9(3)7-13(10,11)12/h5,7H,4,6H2,1-3H3,(H2,10,11,12)/b9-7+
InChIKeyIMAPKCUDRYUNRE-VQHVLOKHSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.93
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 (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The IUPAC name of (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide (CID 56942413) is (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide.
What is the SMILES notation for (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The canonical SMILES for (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide is CC(C)=CCC/C(C)=C/S(N)(=O)=O.
What is the InChIKey of (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The InChIKey is IMAPKCUDRYUNRE-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)5-4-6-9(3)7-13(10,11)12/h5,7H,4,6H2,1-3H3,(H2,10,11,12)/b9-7+.
What are the key properties of (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
(1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,6-dimethylhepta-1,5-diene-1-sulfonamide is sourced from PubChem (CID 56942413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).