N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide

C6H12N4O3S — CID 104818617

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CC)n1
InChIInChI=1S/C6H12N4O3S/c1-3-13-6-7-5(8-9-6)10-14(11,12)4-2/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyNNCIIXABHPGHAH-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.04
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (PubChem CID 104818617) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
PubChem CID104818617
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CC)n1
InChIInChI=1S/C6H12N4O3S/c1-3-13-6-7-5(8-9-6)10-14(11,12)4-2/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyNNCIIXABHPGHAH-UHFFFAOYSA-N
XLogP-0.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (CID 104818617) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is CCOc1n[nH]c(NS(=O)(=O)CC)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The InChIKey is NNCIIXABHPGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-3-13-6-7-5(8-9-6)10-14(11,12)4-2/h3-4H2,1-2H3,(H2,7,8,9,10).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide has a molecular weight of 220.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 104818617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).