3-amino-2-thiophen-2-ylsulfonylpropanoic acid

C7H9NO4S2 — CID 64694450

IUPAC3-amino-2-thiophen-2-ylsulfonylpropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c8-4-5(7(9)10)14(11,12)6-2-1-3-13-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyZROSDYDKTGFJQQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.07
Rot. Bonds4

About 3-amino-2-thiophen-2-ylsulfonylpropanoic acid

3-amino-2-thiophen-2-ylsulfonylpropanoic acid (PubChem CID 64694450) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-2-thiophen-2-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-thiophen-2-ylsulfonylpropanoic acid
PubChem CID64694450
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name3-amino-2-thiophen-2-ylsulfonylpropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c8-4-5(7(9)10)14(11,12)6-2-1-3-13-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyZROSDYDKTGFJQQ-UHFFFAOYSA-N
XLogP-0.07
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
CID 106676969
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-propan-2-ylsulfonylthiophene
CID 22953694
2-(difluoromethylsulfonyl)thiophene
CID 82076235
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
6-chloro-3-hydroxy-6-thiophen-2-ylsulfonylhexanoic acid
CID 22568718
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
CID 9162051
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-thiophen-2-ylsulfonylpropanoic acid?
The IUPAC name of 3-amino-2-thiophen-2-ylsulfonylpropanoic acid (CID 64694450) is 3-amino-2-thiophen-2-ylsulfonylpropanoic acid.
What is the SMILES notation for 3-amino-2-thiophen-2-ylsulfonylpropanoic acid?
The canonical SMILES for 3-amino-2-thiophen-2-ylsulfonylpropanoic acid is NCC(C(=O)O)S(=O)(=O)c1cccs1.
What is the InChIKey of 3-amino-2-thiophen-2-ylsulfonylpropanoic acid?
The InChIKey is ZROSDYDKTGFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c8-4-5(7(9)10)14(11,12)6-2-1-3-13-6/h1-3,5H,4,8H2,(H,9,10).
What are the key properties of 3-amino-2-thiophen-2-ylsulfonylpropanoic acid?
3-amino-2-thiophen-2-ylsulfonylpropanoic acid has a molecular weight of 235.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-thiophen-2-ylsulfonylpropanoic acid is sourced from PubChem (CID 64694450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).