(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate

C8H11NO4S2 — CID 67305033

IUPAC(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate
SMILESCC(=O)OCc1sc(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H11NO4S2/c1-5-3-8(15(9,11)12)14-7(5)4-13-6(2)10/h3H,4H2,1-2H3,(H2,9,11,12)
InChIKeySHEXCUQRQPYCRU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.77
Rot. Bonds3

About (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate

(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate (PubChem CID 67305033) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate.

Molecular Properties

Compound Name(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate
PubChem CID67305033
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate
SMILESCC(=O)OCc1sc(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H11NO4S2/c1-5-3-8(15(9,11)12)14-7(5)4-13-6(2)10/h3H,4H2,1-2H3,(H2,9,11,12)
InChIKeySHEXCUQRQPYCRU-UHFFFAOYSA-N
XLogP0.77
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate?
The IUPAC name of (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate (CID 67305033) is (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate.
What is the SMILES notation for (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate?
The canonical SMILES for (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate is CC(=O)OCc1sc(S(N)(=O)=O)cc1C.
What is the InChIKey of (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate?
The InChIKey is SHEXCUQRQPYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-5-3-8(15(9,11)12)14-7(5)4-13-6(2)10/h3H,4H2,1-2H3,(H2,9,11,12).
What are the key properties of (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate?
(3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate has a molecular weight of 249.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-sulfamoylthiophen-2-yl)methyl acetate is sourced from PubChem (CID 67305033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).