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

C11H21NO2S — CID 87160698

IUPAC(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
SMILESCCNS(=O)(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H21NO2S/c1-5-12-15(13,14)9-11(4)8-6-7-10(2)3/h7,9,12H,5-6,8H2,1-4H3/b11-9+
InChIKeyRFLTWHVPWWBEII-PKNBQFBNSA-N
MW231.36 g/mol
LogP2.58
Rot. Bonds6

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

(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide (PubChem CID 87160698) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
PubChem CID87160698
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
SMILESCCNS(=O)(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H21NO2S/c1-5-12-15(13,14)9-11(4)8-6-7-10(2)3/h7,9,12H,5-6,8H2,1-4H3/b11-9+
InChIKeyRFLTWHVPWWBEII-PKNBQFBNSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.58
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)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The IUPAC name of (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide (CID 87160698) is (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide.
What is the SMILES notation for (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The canonical SMILES for (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide is CCNS(=O)(=O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
The InChIKey is RFLTWHVPWWBEII-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-12-15(13,14)9-11(4)8-6-7-10(2)3/h7,9,12H,5-6,8H2,1-4H3/b11-9+.
What are the key properties of (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide?
(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide is sourced from PubChem (CID 87160698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).