4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide

C13H16N2O2S2 — CID 106070098

IUPAC4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-8-6-11-2-4-13(5-3-11)19(16,17)15-12-7-9-18-10-12/h2-5,7,9-10,14-15H,6,8H2,1H3
InChIKeyLPLVBDKYURUHBK-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.31
Rot. Bonds6

About 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide

4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106070098) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106070098
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-8-6-11-2-4-13(5-3-11)19(16,17)15-12-7-9-18-10-12/h2-5,7,9-10,14-15H,6,8H2,1H3
InChIKeyLPLVBDKYURUHBK-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073262
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
4-[3-(methylamino)propyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088550
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
CID 106070014
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
4-[2-(methylamino)ethyl]-N-(thian-4-yl)benzenesulfonamide
CID 106084491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide (CID 106070098) is 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide is CNCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is LPLVBDKYURUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-14-8-6-11-2-4-13(5-3-11)19(16,17)15-12-7-9-18-10-12/h2-5,7,9-10,14-15H,6,8H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide?
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106070098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).