N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide

C12H23NO2S — CID 123717571

IUPACN-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide
SMILESCCC(C)=C(C)C=C(C)CCNS(C)(=O)=O
InChIInChI=1S/C12H23NO2S/c1-6-11(3)12(4)9-10(2)7-8-13-16(5,14)15/h9,13H,6-8H2,1-5H3
InChIKeyHZXZKZXNLBNRPH-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.62
Rot. Bonds6

About N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide

N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide (PubChem CID 123717571) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide
PubChem CID123717571
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide
SMILESCCC(C)=C(C)C=C(C)CCNS(C)(=O)=O
InChIInChI=1S/C12H23NO2S/c1-6-11(3)12(4)9-10(2)7-8-13-16(5,14)15/h9,13H,6-8H2,1-5H3
InChIKeyHZXZKZXNLBNRPH-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide?
The IUPAC name of N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide (CID 123717571) is N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide.
What is the SMILES notation for N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide?
The canonical SMILES for N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide is CCC(C)=C(C)C=C(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide?
The InChIKey is HZXZKZXNLBNRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-6-11(3)12(4)9-10(2)7-8-13-16(5,14)15/h9,13H,6-8H2,1-5H3.
What are the key properties of N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide?
N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide has a molecular weight of 245.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trimethylocta-3,5-dienyl)methanesulfonamide is sourced from PubChem (CID 123717571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).