2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid

C11H17NO5S2 — CID 113495561

IUPAC2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCCC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-2-8(5-6-13)12-19(16,17)11-4-3-9(18-11)7-10(14)15/h3-4,8,12-13H,2,5-7H2,1H3,(H,14,15)
InChIKeyVMWGBAUNQQRQBN-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.81
Rot. Bonds8

About 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 113495561) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID113495561
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCCC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-2-8(5-6-13)12-19(16,17)11-4-3-9(18-11)7-10(14)15/h3-4,8,12-13H,2,5-7H2,1H3,(H,14,15)
InChIKeyVMWGBAUNQQRQBN-UHFFFAOYSA-N
XLogP0.81
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
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CID 114155512
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 45298894

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid (CID 113495561) is 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid is CCC(CCO)NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is VMWGBAUNQQRQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-2-8(5-6-13)12-19(16,17)11-4-3-9(18-11)7-10(14)15/h3-4,8,12-13H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 113495561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).