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

C11H21NO2S — CID 56942264

IUPAC(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C\S(=O)(=O)N(C)C
InChIInChI=1S/C11H21NO2S/c1-10(2)7-6-8-11(3)9-15(13,14)12(4)5/h7,9H,6,8H2,1-5H3/b11-9-
InChIKeyPOQXRFKHXZIQFD-LUAWRHEFSA-N
MW231.36 g/mol
LogP2.53
Rot. Bonds5

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

(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide (PubChem CID 56942264) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide
PubChem CID56942264
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide
SMILESCC(C)=CCC/C(C)=C\S(=O)(=O)N(C)C
InChIInChI=1S/C11H21NO2S/c1-10(2)7-6-8-11(3)9-15(13,14)12(4)5/h7,9H,6,8H2,1-5H3/b11-9-
InChIKeyPOQXRFKHXZIQFD-LUAWRHEFSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
3,7-dimethylocta-2,6-dienal
CID 8843
(2E)-3,7-dimethyl-1-sulfonatoselanylocta-2,6-diene
CID 59008376

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide?
The IUPAC name of (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide (CID 56942264) is (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide.
What is the SMILES notation for (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide?
The canonical SMILES for (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide is CC(C)=CCC/C(C)=C\S(=O)(=O)N(C)C.
What is the InChIKey of (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide?
The InChIKey is POQXRFKHXZIQFD-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)7-6-8-11(3)9-15(13,14)12(4)5/h7,9H,6,8H2,1-5H3/b11-9-.
What are the key properties of (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide?
(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide is sourced from PubChem (CID 56942264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).