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

C10H15BrN2O2S2 — CID 54952440

IUPAC3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-13(8-2-5-12-6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyJUGVLWJSBFEHRZ-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.88
Rot. Bonds3

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

3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide (PubChem CID 54952440) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
PubChem CID54952440
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-13(8-2-5-12-6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyJUGVLWJSBFEHRZ-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

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Related Compounds

3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 54951868
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120999700
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 61456072
3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 61072223

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide (CID 54952440) is 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide is CN(C1CCNCC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The InChIKey is JUGVLWJSBFEHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-13(8-2-5-12-6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
3-bromo-N-methyl-N-piperidin-4-ylthiophene-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 3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 54952440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).