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

C10H13Br2NO4S2 — CID 43238236

IUPAC2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O
InChIInChI=1S/C10H13Br2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15)
InChIKeyHGVJNNRIOBWSJG-UHFFFAOYSA-N
MW435.16 g/mol
LogP3.05
Rot. Bonds6

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

2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 43238236) has the molecular formula C10H13Br2NO4S2 and a molecular weight of 435.16 g/mol. Its IUPAC name is 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
PubChem CID43238236
Molecular FormulaC10H13Br2NO4S2
Molecular Weight435.16 g/mol
Exact Mass432.87
IUPAC Name2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O
InChIInChI=1S/C10H13Br2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15)
InChIKeyHGVJNNRIOBWSJG-UHFFFAOYSA-N
XLogP3.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935243
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169
(2S)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methoxy-4-oxobutanoic acid
CID 61141773
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
(2S)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173809
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid (CID 43238236) is 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O.
What is the InChIKey of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is HGVJNNRIOBWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 435.16 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 43238236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).