N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide

C10H20N4O4S — CID 163856234

IUPACN-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
SMILESCC(COCCNS(C)(=O)=O)OCCn1ccnn1
InChIInChI=1S/C10H20N4O4S/c1-10(9-17-7-4-12-19(2,15)16)18-8-6-14-5-3-11-13-14/h3,5,10,12H,4,6-9H2,1-2H3
InChIKeyOYNUMYPJFKYXRF-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.75
Rot. Bonds10

About N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide

N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide (PubChem CID 163856234) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
PubChem CID163856234
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC NameN-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
SMILESCC(COCCNS(C)(=O)=O)OCCn1ccnn1
InChIInChI=1S/C10H20N4O4S/c1-10(9-17-7-4-12-19(2,15)16)18-8-6-14-5-3-11-13-14/h3,5,10,12H,4,6-9H2,1-2H3
InChIKeyOYNUMYPJFKYXRF-UHFFFAOYSA-N
XLogP-0.75
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.75
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]propane-2-sulfonamide
CID 156664332
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
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-propan-2-yloxyethyl)-2-(triazol-1-yl)ethanamine
CID 104444552
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 N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide (CID 163856234) is N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide is CC(COCCNS(C)(=O)=O)OCCn1ccnn1.
What is the InChIKey of N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide?
The InChIKey is OYNUMYPJFKYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-10(9-17-7-4-12-19(2,15)16)18-8-6-14-5-3-11-13-14/h3,5,10,12H,4,6-9H2,1-2H3.
What are the key properties of N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide?
N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of -0.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 163856234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).