3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide

C11H17BrN2O2S2 — CID 54952441

IUPAC3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-2-14(9-3-6-13-7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyYVAJSMUHHQMFII-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.27
Rot. Bonds4

About 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide

3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide (PubChem CID 54952441) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide
PubChem CID54952441
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-2-14(9-3-6-13-7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyYVAJSMUHHQMFII-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide (CID 54952441) is 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The InChIKey is YVAJSMUHHQMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-2-14(9-3-6-13-7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide?
3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-piperidin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 54952441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).