5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid

C9H11BrN2O5S2 — CID 61063305

IUPAC5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1sccc1Br)C(=O)O
InChIInChI=1S/C9H11BrN2O5S2/c10-5-3-4-18-9(5)19(16,17)12-6(8(14)15)1-2-7(11)13/h3-4,6,12H,1-2H2,(H2,11,13)(H,14,15)
InChIKeyRYDLWLNSLZOYQX-UHFFFAOYSA-N
MW371.23 g/mol
LogP0.51
Rot. Bonds7

About 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid

5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 61063305) has the molecular formula C9H11BrN2O5S2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID61063305
Molecular FormulaC9H11BrN2O5S2
Molecular Weight371.23 g/mol
Exact Mass369.93
IUPAC Name5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1sccc1Br)C(=O)O
InChIInChI=1S/C9H11BrN2O5S2/c10-5-3-4-18-9(5)19(16,17)12-6(8(14)15)1-2-7(11)13/h3-4,6,12H,1-2H2,(H2,11,13)(H,14,15)
InChIKeyRYDLWLNSLZOYQX-UHFFFAOYSA-N
XLogP0.51
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478980
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 109374287
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid (CID 61063305) is 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CCC(NS(=O)(=O)c1sccc1Br)C(=O)O.
What is the InChIKey of 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is RYDLWLNSLZOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O5S2/c10-5-3-4-18-9(5)19(16,17)12-6(8(14)15)1-2-7(11)13/h3-4,6,12H,1-2H2,(H2,11,13)(H,14,15).
What are the key properties of 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 371.23 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61063305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).