3-(thiophen-2-ylsulfonylamino)propanoate

C7H8NO4S2- — CID 3420084

IUPAC3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)/p-1
InChIKeyPGHCOXJSXMMPHU-UHFFFAOYSA-M
MW234.28 g/mol
LogP-0.83
Rot. Bonds5

About 3-(thiophen-2-ylsulfonylamino)propanoate

3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 3420084) has the molecular formula C7H8NO4S2- and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID3420084
Molecular FormulaC7H8NO4S2-
Molecular Weight234.28 g/mol
Exact Mass233.99
IUPAC Name3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)/p-1
InChIKeyPGHCOXJSXMMPHU-UHFFFAOYSA-M
XLogP-0.83
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of 3-(thiophen-2-ylsulfonylamino)propanoate (CID 3420084) is 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for 3-(thiophen-2-ylsulfonylamino)propanoate is O=C([O-])CCNS(=O)(=O)c1cccs1.
What is the InChIKey of 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is PGHCOXJSXMMPHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)/p-1.
What are the key properties of 3-(thiophen-2-ylsulfonylamino)propanoate?
3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 234.28 g/mol, XLogP of -0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 3420084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).