1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid

C11H15BrN2O4S2 — CID 61012712

IUPAC1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2ccc(Br)s2)C1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-4-3-9(19-10)6-13-20(17,18)14-5-1-2-8(7-14)11(15)16/h3-4,8,13H,1-2,5-7H2,(H,15,16)
InChIKeyHBVIBVVBYMIMNW-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.64
Rot. Bonds5

About 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid

1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 61012712) has the molecular formula C11H15BrN2O4S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID61012712
Molecular FormulaC11H15BrN2O4S2
Molecular Weight383.29 g/mol
Exact Mass381.97
IUPAC Name1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2ccc(Br)s2)C1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-4-3-9(19-10)6-13-20(17,18)14-5-1-2-8(7-14)11(15)16/h3-4,8,13H,1-2,5-7H2,(H,15,16)
InChIKeyHBVIBVVBYMIMNW-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106095283
1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 131949814
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 146092790
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 136549040
1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 103004707
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
3-[5-[(piperidin-1-ylsulfonylamino)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033969
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 61012712) is 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is HBVIBVVBYMIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S2/c12-10-4-3-9(19-10)6-13-20(17,18)14-5-1-2-8(7-14)11(15)16/h3-4,8,13H,1-2,5-7H2,(H,15,16).
What are the key properties of 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 383.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61012712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).