5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid

C10H13Br2NO4S2 — CID 82683979

IUPAC5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2NO4S2/c1-6(2-3-9(14)15)5-13-19(16,17)7-4-8(11)18-10(7)12/h4,6,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyOURFUQKFAJDPHL-UHFFFAOYSA-N
MW435.16 g/mol
LogP3.05
Rot. Bonds7

About 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid

5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 82683979) has the molecular formula C10H13Br2NO4S2 and a molecular weight of 435.16 g/mol. Its IUPAC name is 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID82683979
Molecular FormulaC10H13Br2NO4S2
Molecular Weight435.16 g/mol
Exact Mass432.87
IUPAC Name5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2NO4S2/c1-6(2-3-9(14)15)5-13-19(16,17)7-4-8(11)18-10(7)12/h4,6,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyOURFUQKFAJDPHL-UHFFFAOYSA-N
XLogP3.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.16
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66089672
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
5-[(3-bromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683808
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
CID 60661178
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
methyl 5-bromo-4-[(3-hydroxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 65034395
(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935243
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid (CID 82683979) is 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is OURFUQKFAJDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO4S2/c1-6(2-3-9(14)15)5-13-19(16,17)7-4-8(11)18-10(7)12/h4,6,13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 435.16 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).