4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide

C13H23N3O2S2 — CID 106050085

IUPAC4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-14-10-12-3-7-16(8-4-12)20(17,18)15-6-2-13-5-9-19-11-13/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3
InChIKeyFOGLWYQNKMROQE-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.06
Rot. Bonds7

About 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide (PubChem CID 106050085) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
PubChem CID106050085
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-14-10-12-3-7-16(8-4-12)20(17,18)15-6-2-13-5-9-19-11-13/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3
InChIKeyFOGLWYQNKMROQE-UHFFFAOYSA-N
XLogP1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831
1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 164642999
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide (CID 106050085) is 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCc2ccsc2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide?
The InChIKey is FOGLWYQNKMROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-14-10-12-3-7-16(8-4-12)20(17,18)15-6-2-13-5-9-19-11-13/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106050085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).