N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide

C17H32N2O4S2 — CID 10475641

IUPACN'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCNS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C17H32N2O4S2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-19-25(22,23)14-24(18,20)21/h8,10,12,19H,5-7,9,11,13-14H2,1-4H3,(H2,18,20,21)/b16-10+,17-12+
InChIKeyRUJMKDQXQHRAAN-JTCWOHKRSA-N
MW392.59 g/mol
LogP2.96
Rot. Bonds12

About N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide

N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide (PubChem CID 10475641) has the molecular formula C17H32N2O4S2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide.

Molecular Properties

Compound NameN'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide
PubChem CID10475641
Molecular FormulaC17H32N2O4S2
Molecular Weight392.59 g/mol
Exact Mass392.18
IUPAC NameN'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCNS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C17H32N2O4S2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-19-25(22,23)14-24(18,20)21/h8,10,12,19H,5-7,9,11,13-14H2,1-4H3,(H2,18,20,21)/b16-10+,17-12+
InChIKeyRUJMKDQXQHRAAN-JTCWOHKRSA-N
XLogP2.96
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide with MolForge

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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]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
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]methanesulfonamide
CID 161644484
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide
CID 10425528

Frequently Asked Questions

What is the IUPAC name of N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide?
The IUPAC name of N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide (CID 10475641) is N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide.
What is the SMILES notation for N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide?
The canonical SMILES for N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCNS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide?
The InChIKey is RUJMKDQXQHRAAN-JTCWOHKRSA-N. The full InChI is InChI=1S/C17H32N2O4S2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-19-25(22,23)14-24(18,20)21/h8,10,12,19H,5-7,9,11,13-14H2,1-4H3,(H2,18,20,21)/b16-10+,17-12+.
What are the key properties of N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide?
N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide has a molecular weight of 392.59 g/mol, XLogP of 2.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide is sourced from PubChem (CID 10475641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).