diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium

C24H51N2O2S+ — CID 73346467

IUPACdiethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium
SMILESC=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C24H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-24-29(27,28)25(5)21-23-26(8-3,9-4)22-7-2/h7H,2,6,8-24H2,1,3-5H3/q+1
InChIKeyMHPHDABXMFZUKT-UHFFFAOYSA-N
MW431.75 g/mol
LogP5.99
Rot. Bonds21

About diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium

diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium (PubChem CID 73346467) has the molecular formula C24H51N2O2S+ and a molecular weight of 431.75 g/mol. Its IUPAC name is diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium.

Molecular Properties

Compound Namediethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium
PubChem CID73346467
Molecular FormulaC24H51N2O2S+
Molecular Weight431.75 g/mol
Exact Mass431.37
IUPAC Namediethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium
SMILESC=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C24H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-24-29(27,28)25(5)21-23-26(8-3,9-4)22-7-2/h7H,2,6,8-24H2,1,3-5H3/q+1
InChIKeyMHPHDABXMFZUKT-UHFFFAOYSA-N
XLogP5.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium?
The IUPAC name of diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium (CID 73346467) is diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium.
What is the SMILES notation for diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium?
The canonical SMILES for diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium is C=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC.
What is the InChIKey of diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium?
The InChIKey is MHPHDABXMFZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N2O2S/c1-6-10-11-12-13-14-15-16-17-18-19-20-24-29(27,28)25(5)21-23-26(8-3,9-4)22-7-2/h7H,2,6,8-24H2,1,3-5H3/q+1.
What are the key properties of diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium?
diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium has a molecular weight of 431.75 g/mol, XLogP of 5.99, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]-prop-2-enylazanium is sourced from PubChem (CID 73346467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).