2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid

C10H14BrNO4S2 — CID 65222656

IUPAC2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-2-3-7(10(13)14)6-12-18(15,16)9-5-4-8(11)17-9/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyUIAOQCVGZFOGAG-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.29
Rot. Bonds7

About 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid

2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 65222656) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID65222656
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Name2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-2-3-7(10(13)14)6-12-18(15,16)9-5-4-8(11)17-9/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyUIAOQCVGZFOGAG-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic 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

2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
(4R)-4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-5,5,5-trifluoropentanoic acid
CID 51567451
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119668744

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid (CID 65222656) is 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid is CCCC(CNS(=O)(=O)c1ccc(Br)s1)C(=O)O.
What is the InChIKey of 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is UIAOQCVGZFOGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c1-2-3-7(10(13)14)6-12-18(15,16)9-5-4-8(11)17-9/h4-5,7,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 356.26 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 65222656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).