1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

C10H12BrNO4S2 — CID 3300354

IUPAC1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeyMRICABAPAXKYHG-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.14
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 3300354) has the molecular formula C10H12BrNO4S2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID3300354
Molecular FormulaC10H12BrNO4S2
Molecular Weight354.25 g/mol
Exact Mass352.94
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeyMRICABAPAXKYHG-UHFFFAOYSA-N
XLogP2.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (CID 3300354) is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is MRICABAPAXKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 354.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 3300354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).