2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid

C13H19NO5S2 — CID 63713763

IUPAC2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC1CCCOC1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H19NO5S2/c1-14(8-10-3-2-6-19-9-10)21(17,18)13-5-4-11(20-13)7-12(15)16/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyBSYXKPYPIQBFGO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.42
Rot. Bonds6

About 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 63713763) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID63713763
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC1CCCOC1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H19NO5S2/c1-14(8-10-3-2-6-19-9-10)21(17,18)13-5-4-11(20-13)7-12(15)16/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyBSYXKPYPIQBFGO-UHFFFAOYSA-N
XLogP1.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 63713763) is 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is CN(CC1CCCOC1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is BSYXKPYPIQBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-14(8-10-3-2-6-19-9-10)21(17,18)13-5-4-11(20-13)7-12(15)16/h4-5,10H,2-3,6-9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 63713763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).