3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide

C11H14BrN3O2S2 — CID 61457756

IUPAC3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H14BrN3O2S2/c1-15-5-3-11(8-13,4-6-15)14-19(16,17)10-9(12)2-7-18-10/h2,7,14H,3-6H2,1H3
InChIKeyWYKUXXFXDLOYDN-UHFFFAOYSA-N
MW364.29 g/mol
LogP1.78
Rot. Bonds3

About 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide

3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 61457756) has the molecular formula C11H14BrN3O2S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID61457756
Molecular FormulaC11H14BrN3O2S2
Molecular Weight364.29 g/mol
Exact Mass362.97
IUPAC Name3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H14BrN3O2S2/c1-15-5-3-11(8-13,4-6-15)14-19(16,17)10-9(12)2-7-18-10/h2,7,14H,3-6H2,1H3
InChIKeyWYKUXXFXDLOYDN-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 61457756) is 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide is CN1CCC(C#N)(NS(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is WYKUXXFXDLOYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S2/c1-15-5-3-11(8-13,4-6-15)14-19(16,17)10-9(12)2-7-18-10/h2,7,14H,3-6H2,1H3.
What are the key properties of 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61457756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).