2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide

C8H13N3O5S — CID 155937709

IUPAC2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCc1noc(=O)[nH]1)S(C)(=O)=O
InChIInChI=1S/C8H13N3O5S/c1-8(2,17(3,14)15)6(12)9-4-5-10-7(13)16-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyKICBMRVJMLPPSO-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.20
Rot. Bonds4

About 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide

2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 155937709) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID155937709
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCc1noc(=O)[nH]1)S(C)(=O)=O
InChIInChI=1S/C8H13N3O5S/c1-8(2,17(3,14)15)6(12)9-4-5-10-7(13)16-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyKICBMRVJMLPPSO-UHFFFAOYSA-N
XLogP-1.20
TPSA122.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 155937709) is 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(C)(C(=O)NCc1noc(=O)[nH]1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is KICBMRVJMLPPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-8(2,17(3,14)15)6(12)9-4-5-10-7(13)16-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13).
What are the key properties of 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 263.27 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 155937709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).