N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide

C5H9N3O3S — CID 130660856

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nonc1C
InChIInChI=1S/C5H9N3O3S/c1-3-12(9,10)8-5-4(2)6-11-7-5/h3H2,1-2H3,(H,7,8)
InChIKeyORACUSZBMIBETQ-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.14
Rot. Bonds3

About N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide (PubChem CID 130660856) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide
PubChem CID130660856
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nonc1C
InChIInChI=1S/C5H9N3O3S/c1-3-12(9,10)8-5-4(2)6-11-7-5/h3H2,1-2H3,(H,7,8)
InChIKeyORACUSZBMIBETQ-UHFFFAOYSA-N
XLogP0.14
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide
CID 86804371
2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide
CID 75478741
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
CID 141414520
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 131915930
4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
CID 3091098
trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
CID 130891695
N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
CID 130168364
6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide
CID 42479209
2-(cyclopropylmethoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 167898352
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 3375683

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide (CID 130660856) is N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nonc1C.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide?
The InChIKey is ORACUSZBMIBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3S/c1-3-12(9,10)8-5-4(2)6-11-7-5/h3H2,1-2H3,(H,7,8).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide has a molecular weight of 191.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 130660856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).