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

C8H15N3O3S — CID 131915930

IUPAC2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCc1nonc1CNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H15N3O3S/c1-6(2)5-15(12,13)9-4-8-7(3)10-14-11-8/h6,9H,4-5H2,1-3H3
InChIKeyYQKYMOOGIRMWSJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.45
Rot. Bonds5

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

2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 131915930) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID131915930
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCc1nonc1CNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H15N3O3S/c1-6(2)5-15(12,13)9-4-8-7(3)10-14-11-8/h6,9H,4-5H2,1-3H3
InChIKeyYQKYMOOGIRMWSJ-UHFFFAOYSA-N
XLogP0.45
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide (CID 131915930) is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide is Cc1nonc1CNS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is YQKYMOOGIRMWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(2)5-15(12,13)9-4-8-7(3)10-14-11-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 131915930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).