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

C12H22N4O3S — CID 63265679

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CCN2CCNCC2)no1
InChIInChI=1S/C12H22N4O3S/c1-11-9-12(14-19-11)10-20(17,18)15(2)7-8-16-5-3-13-4-6-16/h9,13H,3-8,10H2,1-2H3
InChIKeyNEEJQDFJLLDQAL-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.35
Rot. Bonds6

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

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 63265679) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID63265679
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CCN2CCNCC2)no1
InChIInChI=1S/C12H22N4O3S/c1-11-9-12(14-19-11)10-20(17,18)15(2)7-8-16-5-3-13-4-6-16/h9,13H,3-8,10H2,1-2H3
InChIKeyNEEJQDFJLLDQAL-UHFFFAOYSA-N
XLogP-0.35
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.35
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-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 63265679) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide is Cc1cc(CS(=O)(=O)N(C)CCN2CCNCC2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is NEEJQDFJLLDQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-11-9-12(14-19-11)10-20(17,18)15(2)7-8-16-5-3-13-4-6-16/h9,13H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.35, 6 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-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 63265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).