2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid

C11H16N2O5S2 — CID 60926141

IUPAC2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H16N2O5S2/c1-13(2)9(14)5-6-12-20(17,18)11-4-3-8(19-11)7-10(15)16/h3-4,12H,5-7H2,1-2H3,(H,15,16)
InChIKeyOHIQYFTXXBVGPF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.13
Rot. Bonds7

About 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 60926141) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID60926141
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H16N2O5S2/c1-13(2)9(14)5-6-12-20(17,18)11-4-3-8(19-11)7-10(15)16/h3-4,12H,5-7H2,1-2H3,(H,15,16)
InChIKeyOHIQYFTXXBVGPF-UHFFFAOYSA-N
XLogP0.13
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 61020827
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 60926141) is 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid is CN(C)C(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is OHIQYFTXXBVGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-13(2)9(14)5-6-12-20(17,18)11-4-3-8(19-11)7-10(15)16/h3-4,12H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 60926141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).