3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid

C9H13NO4S2 — CID 43361840

IUPAC3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid
SMILESCC(NS(=O)(=O)CCC(=O)O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12)
InChIKeyBUWYHSIUTYTQSR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds6

About 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid

3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid (PubChem CID 43361840) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid
PubChem CID43361840
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid
SMILESCC(NS(=O)(=O)CCC(=O)O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12)
InChIKeyBUWYHSIUTYTQSR-UHFFFAOYSA-N
XLogP1.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophen-2-yl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid
CID 83068848
(2S)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-fluoropropanoic acid
CID 167824353
(2R)-2-amino-3-(2-amino-1-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 14368264
(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid
CID 14368265
2-Amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid
CID 21317356
Oxalic acid;1-thiophen-2-ylpropan-1-amine
CID 22365153
2-[(5-Ethylthiophen-2-yl)sulfonylamino]propanoic acid
CID 24262849
Prop-2-enoic acid;1-thiophen-2-ylpropan-1-amine
CID 66939637
(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine
CID 68653179
Acetic acid;thiophen-2-ylmethanamine
CID 69174857
Thiophen-2-ylmethylsulfamoyl hydrogen carbonate
CID 87191935
4-Amino-4-thiophen-2-ylbutane-2-sulfonic acid
CID 87823051

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid?
The IUPAC name of 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid (CID 43361840) is 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid is CC(NS(=O)(=O)CCC(=O)O)c1cccs1.
What is the InChIKey of 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid?
The InChIKey is BUWYHSIUTYTQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12).
What are the key properties of 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid?
3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylethylsulfamoyl)propanoic acid is sourced from PubChem (CID 43361840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).