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

C11H22N2O4S2 — CID 10425528

IUPACN'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C11H22N2O4S2/c1-10(2)5-4-6-11(3)7-8-13-19(16,17)9-18(12,14)15/h5,7,13H,4,6,8-9H2,1-3H3,(H2,12,14,15)/b11-7+
InChIKeyLKHFSTPTNUXQNR-YRNVUSSQSA-N
MW310.44 g/mol
LogP0.84
Rot. Bonds8

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

N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide (PubChem CID 10425528) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide.

Molecular Properties

Compound NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide
PubChem CID10425528
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C11H22N2O4S2/c1-10(2)5-4-6-11(3)7-8-13-19(16,17)9-18(12,14)15/h5,7,13H,4,6,8-9H2,1-3H3,(H2,12,14,15)/b11-7+
InChIKeyLKHFSTPTNUXQNR-YRNVUSSQSA-N
XLogP0.84
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhex-4-enyl)methanesulfonamide
CID 166441657
(E)-N-(3,7-dimethylocta-2,6-dien-1-yl)methanesulfonamide
CID 15641109
methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
CID 58761569
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
CID 58850995
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
CID 59841424
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
CID 59841425
(1Z)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
CID 87160697
(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
CID 87160698
N-[(2Z,4E)-4-ethylhexa-2,4-dienyl]methanesulfonamide
CID 88385676
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
CID 89240347
N-(3,7-dimethylocta-2,6-dienyl)methanesulfonamide
CID 123181161
N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide
CID 146384520

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide?
The IUPAC name of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide (CID 10425528) is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide.
What is the SMILES notation for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide?
The canonical SMILES for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide is CC(C)=CCC/C(C)=C/CNS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide?
The InChIKey is LKHFSTPTNUXQNR-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-10(2)5-4-6-11(3)7-8-13-19(16,17)9-18(12,14)15/h5,7,13H,4,6,8-9H2,1-3H3,(H2,12,14,15)/b11-7+.
What are the key properties of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide?
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide has a molecular weight of 310.44 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide is sourced from PubChem (CID 10425528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).