2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide

C17H36N4O4S — CID 161118551

IUPAC2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O4S.C5H12/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16;1-5(2,3)4/h4,6,14H,5,7-11H2,1-3H3;1-4H3
InChIKeyUKQIRKZKQPUJDW-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.08
Rot. Bonds10

About 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide

2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide (PubChem CID 161118551) has the molecular formula C17H36N4O4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
PubChem CID161118551
Molecular FormulaC17H36N4O4S
Molecular Weight392.57 g/mol
Exact Mass392.25
IUPAC Name2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O4S.C5H12/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16;1-5(2,3)4/h4,6,14H,5,7-11H2,1-3H3;1-4H3
InChIKeyUKQIRKZKQPUJDW-UHFFFAOYSA-N
XLogP2.08
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 156664332
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
CID 156664434
N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
CID 163856234

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The IUPAC name of 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide (CID 161118551) is 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide.
What is the SMILES notation for 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The canonical SMILES for 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide is CC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The InChIKey is UKQIRKZKQPUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S.C5H12/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16;1-5(2,3)4/h4,6,14H,5,7-11H2,1-3H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 161118551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).