2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid

C10H14BrNO4S2 — CID 79989177

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-3-4-7(10(13)14)12-18(15,16)8-5-6(2)9(11)17-8/h5,7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyZYOVHUVUKGSKEI-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.35
Rot. Bonds6

About 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid

2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid (PubChem CID 79989177) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
PubChem CID79989177
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-3-4-7(10(13)14)12-18(15,16)8-5-6(2)9(11)17-8/h5,7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyZYOVHUVUKGSKEI-UHFFFAOYSA-N
XLogP2.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid (CID 79989177) is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(=O)O.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid?
The InChIKey is ZYOVHUVUKGSKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c1-3-4-7(10(13)14)12-18(15,16)8-5-6(2)9(11)17-8/h5,7,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid?
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid has a molecular weight of 356.26 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 79989177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).