2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide

C5H10N4O3S — CID 106659561

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide
SMILESCc1noc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C5H10N4O3S/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeyMZQPTBOXWKAAPX-UHFFFAOYSA-N
MW206.23 g/mol
LogP-0.92
Rot. Bonds4

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 106659561) has the molecular formula C5H10N4O3S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide
PubChem CID106659561
Molecular FormulaC5H10N4O3S
Molecular Weight206.23 g/mol
Exact Mass206.05
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide
SMILESCc1noc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C5H10N4O3S/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeyMZQPTBOXWKAAPX-UHFFFAOYSA-N
XLogP-0.92
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 131140623
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 59058894
N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
CID 106659899
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106048419
3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659902
3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 114380304
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide (CID 106659561) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide is Cc1noc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is MZQPTBOXWKAAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3S/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 206.23 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106659561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).