(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate

C14H19NO5S — CID 99783488

IUPAC(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate
SMILESCNS(=O)(=O)c1ccc(CC(=O)OCC2(C)COC2)cc1
InChIInChI=1S/C14H19NO5S/c1-14(8-19-9-14)10-20-13(16)7-11-3-5-12(6-4-11)21(17,18)15-2/h3-6,15H,7-10H2,1-2H3
InChIKeyUIHUIPIRLAODRK-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.72
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate

(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate (PubChem CID 99783488) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate
PubChem CID99783488
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Name(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate
SMILESCNS(=O)(=O)c1ccc(CC(=O)OCC2(C)COC2)cc1
InChIInChI=1S/C14H19NO5S/c1-14(8-19-9-14)10-20-13(16)7-11-3-5-12(6-4-11)21(17,18)15-2/h3-6,15H,7-10H2,1-2H3
InChIKeyUIHUIPIRLAODRK-UHFFFAOYSA-N
XLogP0.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate (CID 99783488) is (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate is CNS(=O)(=O)c1ccc(CC(=O)OCC2(C)COC2)cc1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate?
The InChIKey is UIHUIPIRLAODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(8-19-9-14)10-20-13(16)7-11-3-5-12(6-4-11)21(17,18)15-2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate?
(3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate has a molecular weight of 313.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 2-[4-(methylsulfamoyl)phenyl]acetate is sourced from PubChem (CID 99783488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).