(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

C10H12BrNO4S2 — CID 81120170

IUPAC(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNO4S2/c11-8-3-5-17-10(8)18(15,16)12-4-1-2-7(6-12)9(13)14/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m1/s1
InChIKeyJWPGAANJXLHQPZ-SSDOTTSWSA-N
MW354.25 g/mol
LogP2.00
Rot. Bonds3

About (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 81120170) has the molecular formula C10H12BrNO4S2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID81120170
Molecular FormulaC10H12BrNO4S2
Molecular Weight354.25 g/mol
Exact Mass352.94
IUPAC Name(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNO4S2/c11-8-3-5-17-10(8)18(15,16)12-4-1-2-7(6-12)9(13)14/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m1/s1
InChIKeyJWPGAANJXLHQPZ-SSDOTTSWSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(2,4-dibromophenyl)sulfonylpiperidine-3-carboxylic acid
CID 60824521
(2R,3R)-1-(3-bromothiophen-2-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105257
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid (CID 81120170) is (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1.
What is the InChIKey of (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is JWPGAANJXLHQPZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrNO4S2/c11-8-3-5-17-10(8)18(15,16)12-4-1-2-7(6-12)9(13)14/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 354.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 81120170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).