N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide

C11H21NO2S — CID 15641109

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-10(2)6-5-7-11(3)8-9-12-15(4,13)14/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyTUMFQSMEYGBGCZ-DHZHZOJOSA-N
MW231.36 g/mol
LogP2.23
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide (PubChem CID 15641109) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide
PubChem CID15641109
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-10(2)6-5-7-11(3)8-9-12-15(4,13)14/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyTUMFQSMEYGBGCZ-DHZHZOJOSA-N
XLogP2.23
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 ≤ 52.23
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 N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide (CID 15641109) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide is CC(C)=CCC/C(C)=C/CNS(C)(=O)=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide?
The InChIKey is TUMFQSMEYGBGCZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)6-5-7-11(3)8-9-12-15(4,13)14/h6,8,12H,5,7,9H2,1-4H3/b11-8+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide is sourced from PubChem (CID 15641109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).