5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

C13H23N3O2S2 — CID 106025620

IUPAC5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C13H23N3O2S2/c1-14-8-5-12-3-4-13(19-12)20(17,18)15-11-6-9-16(2)10-7-11/h3-4,11,14-15H,5-10H2,1-2H3
InChIKeyOZVIWNCWXOQMMA-UHFFFAOYSA-N
MW317.48 g/mol
LogP0.88
Rot. Bonds6

About 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 106025620) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID106025620
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C13H23N3O2S2/c1-14-8-5-12-3-4-13(19-12)20(17,18)15-11-6-9-16(2)10-7-11/h3-4,11,14-15H,5-10H2,1-2H3
InChIKeyOZVIWNCWXOQMMA-UHFFFAOYSA-N
XLogP0.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 114109937
5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833
5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64734291
N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79308817
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 106025620) is 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NC2CCN(C)CC2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is OZVIWNCWXOQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-14-8-5-12-3-4-13(19-12)20(17,18)15-11-6-9-16(2)10-7-11/h3-4,11,14-15H,5-10H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106025620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).