N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide

C8H14N2O3S — CID 61356856

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C8H14N2O3S/c1-4-14(11,12)10(3)6-8-5-7(2)13-9-8/h5H,4,6H2,1-3H3
InChIKeyAPDGZPLQLPECCK-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide (PubChem CID 61356856) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
PubChem CID61356856
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C8H14N2O3S/c1-4-14(11,12)10(3)6-8-5-7(2)13-9-8/h5H,4,6H2,1-3H3
InChIKeyAPDGZPLQLPECCK-UHFFFAOYSA-N
XLogP0.76
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide (CID 61356856) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide is CCS(=O)(=O)N(C)Cc1cc(C)on1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide?
The InChIKey is APDGZPLQLPECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-4-14(11,12)10(3)6-8-5-7(2)13-9-8/h5H,4,6H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 61356856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).