5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide

C13H19BrN2O2S2 — CID 79934920

IUPAC5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)sc1Br
InChIInChI=1S/C13H19BrN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)15-10-4-6-16(7-5-10)11-2-3-11/h8,10-11,15H,2-7H2,1H3
InChIKeyNHZCAXAQPZSAEA-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.72
Rot. Bonds4

About 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 79934920) has the molecular formula C13H19BrN2O2S2 and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
PubChem CID79934920
Molecular FormulaC13H19BrN2O2S2
Molecular Weight379.35 g/mol
Exact Mass378.01
IUPAC Name5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)sc1Br
InChIInChI=1S/C13H19BrN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)15-10-4-6-16(7-5-10)11-2-3-11/h8,10-11,15H,2-7H2,1H3
InChIKeyNHZCAXAQPZSAEA-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide (CID 79934920) is 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)sc1Br.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is NHZCAXAQPZSAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)15-10-4-6-16(7-5-10)11-2-3-11/h8,10-11,15H,2-7H2,1H3.
What are the key properties of 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 379.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79934920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).