2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid

C10H15NO5S2 — CID 83177239

IUPAC2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-7(4-5-12)11-18(15,16)10-3-2-8(17-10)6-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyHWAFCMQSHPXFGD-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.42
Rot. Bonds7

About 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 83177239) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID83177239
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-7(4-5-12)11-18(15,16)10-3-2-8(17-10)6-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyHWAFCMQSHPXFGD-UHFFFAOYSA-N
XLogP0.42
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
5-(aminomethyl)-N-pentan-2-ylthiophene-2-sulfonamide
CID 43155699
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 45298894
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid (CID 83177239) is 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid is CC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is HWAFCMQSHPXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7(4-5-12)11-18(15,16)10-3-2-8(17-10)6-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 83177239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).