1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid

C10H11Br2NO4S2 — CID 43238257

IUPAC1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C10H11Br2NO4S2/c11-8-5-7(9(12)18-8)19(16,17)13-3-1-6(2-4-13)10(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyLSHBQDRZLPPPTP-UHFFFAOYSA-N
MW433.14 g/mol
LogP2.76
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid

1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 43238257) has the molecular formula C10H11Br2NO4S2 and a molecular weight of 433.14 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID43238257
Molecular FormulaC10H11Br2NO4S2
Molecular Weight433.14 g/mol
Exact Mass430.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C10H11Br2NO4S2/c11-8-5-7(9(12)18-8)19(16,17)13-3-1-6(2-4-13)10(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyLSHBQDRZLPPPTP-UHFFFAOYSA-N
XLogP2.76
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid (CID 43238257) is 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is LSHBQDRZLPPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO4S2/c11-8-5-7(9(12)18-8)19(16,17)13-3-1-6(2-4-13)10(14)15/h5-6H,1-4H2,(H,14,15).
What are the key properties of 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid?
1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 433.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 43238257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).