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

C10H15BrN2O2S2 — CID 22772540

IUPAC5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-13-6-4-8(5-7-13)12-17(14,15)10-3-2-9(11)16-10/h2-3,8,12H,4-7H2,1H3
InChIKeySBRYHRHLXGFYTQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.88
Rot. Bonds3

About 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 22772540) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID22772540
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-13-6-4-8(5-7-13)12-17(14,15)10-3-2-9(11)16-10/h2-3,8,12H,4-7H2,1H3
InChIKeySBRYHRHLXGFYTQ-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-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

Related Compounds

1-((5-Bromo-2-thienyl)sulfonyl)piperazine
CID 4868363
5-bromo-N-cyclopentyl-2-thiophenesulfonamide
CID 893383
1-[(5-Bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine
CID 3242720
4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide
CID 10767321
1-((5-Bromo-2-thienyl)sulfonyl)piperidine
CID 558610
1-[(5-Bromo-2-thienyl)sulfonyl]-4-methylpiperazine
CID 662157
1-((5-Bromothiophen-2-yl)sulfonyl)-4-methylpiperidine
CID 893468
5-bromo-N-cyclohexylthiophene-2-sulfonamide
CID 3852223
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
CID 3239434
1-[(5-Bromo-2-thienyl)sulfonyl]-4-ethylpiperazine
CID 972089
1-((5-Bromothiophen-2-yl)sulfonyl)piperazine hydrochloride
CID 71636325
4,5-dibromo-N-[3-(4-methylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 22772540) is 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is CN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is SBRYHRHLXGFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-13-6-4-8(5-7-13)12-17(14,15)10-3-2-9(11)16-10/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 339.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).