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

C5H10N4O3S — CID 83101872

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C5H10N4O3S/c1-3-13(10,11)9-4-6-5(12-2)8-7-4/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyBATYQSNNFNMHIA-UHFFFAOYSA-N
MW206.23 g/mol
LogP-0.43
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (PubChem CID 83101872) has the molecular formula C5H10N4O3S and a molecular weight of 206.23 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
PubChem CID83101872
Molecular FormulaC5H10N4O3S
Molecular Weight206.23 g/mol
Exact Mass206.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C5H10N4O3S/c1-3-13(10,11)9-4-6-5(12-2)8-7-4/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyBATYQSNNFNMHIA-UHFFFAOYSA-N
XLogP-0.43
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide (CID 83101872) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The InChIKey is BATYQSNNFNMHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3S/c1-3-13(10,11)9-4-6-5(12-2)8-7-4/h3H2,1-2H3,(H2,6,7,8,9).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide has a molecular weight of 206.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 83101872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).