1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide

C8H12N4O3S — CID 103850460

IUPAC1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCc1noc(C)n1
InChIInChI=1S/C8H12N4O3S/c1-3-7(4-9)16(13,14)10-5-8-11-6(2)15-12-8/h7,10H,3,5H2,1-2H3
InChIKeyWFYAWANMIAAMQT-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.10
Rot. Bonds5

About 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide

1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 103850460) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID103850460
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCc1noc(C)n1
InChIInChI=1S/C8H12N4O3S/c1-3-7(4-9)16(13,14)10-5-8-11-6(2)15-12-8/h7,10H,3,5H2,1-2H3
InChIKeyWFYAWANMIAAMQT-UHFFFAOYSA-N
XLogP0.10
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114185414
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114387968

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide (CID 103850460) is 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCc1noc(C)n1.
What is the InChIKey of 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is WFYAWANMIAAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-3-7(4-9)16(13,14)10-5-8-11-6(2)15-12-8/h7,10H,3,5H2,1-2H3.
What are the key properties of 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 244.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 103850460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).