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

C12H24N4O4S — CID 156664332

IUPAC2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O4S/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3
InChIKeyICOWIKCMIGOKEU-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.03
Rot. Bonds10

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

2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide (PubChem CID 156664332) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
PubChem CID156664332
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O4S/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3
InChIKeyICOWIKCMIGOKEU-UHFFFAOYSA-N
XLogP0.03
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.03
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

N-[2-[2-methyl-2-[3-methyl-3-(triazol-1-yl)butoxy]propoxy]ethyl]methanesulfonamide
CID 142467745
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
CID 156664288
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
CID 156664434
2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 161118551
N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
CID 163856234
2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethanamine
CID 171058783
N-[2-(2-methoxyethoxy)ethyl]-2-(triazol-1-yl)ethanamine
CID 104444447
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
CID 104562866
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
CID 104562867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide (CID 156664332) is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
The InChIKey is ICOWIKCMIGOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-12(2,3)21(17,18)14-5-8-19-10-11-20-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide?
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 0.03, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 156664332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).