N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

C12H20N4O4S — CID 61019091

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CC(=O)N2CCNCC2)no1
InChIInChI=1S/C12H20N4O4S/c1-10-7-11(14-20-10)9-21(18,19)15(2)8-12(17)16-5-3-13-4-6-16/h7,13H,3-6,8-9H2,1-2H3
InChIKeyGUELJUGPQGCZGX-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.82
Rot. Bonds5

About N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 61019091) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID61019091
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CC(=O)N2CCNCC2)no1
InChIInChI=1S/C12H20N4O4S/c1-10-7-11(14-20-10)9-21(18,19)15(2)8-12(17)16-5-3-13-4-6-16/h7,13H,3-6,8-9H2,1-2H3
InChIKeyGUELJUGPQGCZGX-UHFFFAOYSA-N
XLogP-0.82
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (CID 61019091) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is Cc1cc(CS(=O)(=O)N(C)CC(=O)N2CCNCC2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is GUELJUGPQGCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-10-7-11(14-20-10)9-21(18,19)15(2)8-12(17)16-5-3-13-4-6-16/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 61019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).