1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide

C6H8N4O3S — CID 106399137

IUPAC1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCc1ncon1
InChIInChI=1S/C6H8N4O3S/c1-5(2-7)14(11,12)9-3-6-8-4-13-10-6/h4-5,9H,3H2,1H3
InChIKeyORJWKHRGOZGVKE-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.60
Rot. Bonds4

About 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide

1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide (PubChem CID 106399137) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
PubChem CID106399137
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCc1ncon1
InChIInChI=1S/C6H8N4O3S/c1-5(2-7)14(11,12)9-3-6-8-4-13-10-6/h4-5,9H,3H2,1H3
InChIKeyORJWKHRGOZGVKE-UHFFFAOYSA-N
XLogP-0.60
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114185428
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399135
2,4-difluoro-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410999
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide (CID 106399137) is 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide is CC(C#N)S(=O)(=O)NCc1ncon1.
What is the InChIKey of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide?
The InChIKey is ORJWKHRGOZGVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3S/c1-5(2-7)14(11,12)9-3-6-8-4-13-10-6/h4-5,9H,3H2,1H3.
What are the key properties of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide?
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide has a molecular weight of 216.22 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106399137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).