2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H17NO4S2 — CID 43213263

IUPAC2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO4S2/c1-13(9-4-2-3-5-9)19(16,17)12-7-6-10(18-12)8-11(14)15/h6-7,9H,2-5,8H2,1H3,(H,14,15)
InChIKeyOPDLEOGFVKTGHX-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds5

About 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 43213263) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID43213263
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO4S2/c1-13(9-4-2-3-5-9)19(16,17)12-7-6-10(18-12)8-11(14)15/h6-7,9H,2-5,8H2,1H3,(H,14,15)
InChIKeyOPDLEOGFVKTGHX-UHFFFAOYSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 43213263) is 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid is CN(C1CCCC1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is OPDLEOGFVKTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-13(9-4-2-3-5-9)19(16,17)12-7-6-10(18-12)8-11(14)15/h6-7,9H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 303.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 43213263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).