4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide

C21H29N3O2S2 — CID 154725961

IUPAC4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4ccsc4)CC3)CC2)cc1
InChIInChI=1S/C21H29N3O2S2/c22-28(25,26)21-3-1-20(2-4-21)24-12-5-17(6-13-24)15-23-10-7-18(8-11-23)19-9-14-27-16-19/h1-4,9,14,16-18H,5-8,10-13,15H2,(H2,22,25,26)
InChIKeyUPHRDYNCPOVIFF-UHFFFAOYSA-N
MW419.62 g/mol
LogP3.49
Rot. Bonds5

About 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide

4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide (PubChem CID 154725961) has the molecular formula C21H29N3O2S2 and a molecular weight of 419.62 g/mol. Its IUPAC name is 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide
PubChem CID154725961
Molecular FormulaC21H29N3O2S2
Molecular Weight419.62 g/mol
Exact Mass419.17
IUPAC Name4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4ccsc4)CC3)CC2)cc1
InChIInChI=1S/C21H29N3O2S2/c22-28(25,26)21-3-1-20(2-4-21)24-12-5-17(6-13-24)15-23-10-7-18(8-11-23)19-9-14-27-16-19/h1-4,9,14,16-18H,5-8,10-13,15H2,(H2,22,25,26)
InChIKeyUPHRDYNCPOVIFF-UHFFFAOYSA-N
XLogP3.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
CID 146149057
4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
CID 154706179
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
CID 71807083
1-(4-iodophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 174311643
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
CID 18328899
1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522461

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide (CID 154725961) is 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4ccsc4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide?
The InChIKey is UPHRDYNCPOVIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S2/c22-28(25,26)21-3-1-20(2-4-21)24-12-5-17(6-13-24)15-23-10-7-18(8-11-23)19-9-14-27-16-19/h1-4,9,14,16-18H,5-8,10-13,15H2,(H2,22,25,26).
What are the key properties of 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide?
4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide has a molecular weight of 419.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 154725961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).