2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid

C7H9NO5S2 — CID 66168152

IUPAC2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO5S2/c9-5(7(10)11)4-8-15(12,13)6-2-1-3-14-6/h1-3,5,8-9H,4H2,(H,10,11)
InChIKeyBKYJBNADCDJWII-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.53
Rot. Bonds5

About 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid

2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid (PubChem CID 66168152) has the molecular formula C7H9NO5S2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
PubChem CID66168152
Molecular FormulaC7H9NO5S2
Molecular Weight251.28 g/mol
Exact Mass250.99
IUPAC Name2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO5S2/c9-5(7(10)11)4-8-15(12,13)6-2-1-3-14-6/h1-3,5,8-9H,4H2,(H,10,11)
InChIKeyBKYJBNADCDJWII-UHFFFAOYSA-N
XLogP-0.53
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-(3-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 86589102
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
CID 6930511
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469
N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
CID 114294509
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid (CID 66168152) is 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The InChIKey is BKYJBNADCDJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S2/c9-5(7(10)11)4-8-15(12,13)6-2-1-3-14-6/h1-3,5,8-9H,4H2,(H,10,11).
What are the key properties of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid?
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid has a molecular weight of 251.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 66168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).