4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide

C18H28N2O2S2 — CID 154706179

IUPAC4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(CSC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S2/c19-24(21,22)18-8-6-16(7-9-18)20-12-10-15(11-13-20)14-23-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-14H2,(H2,19,21,22)
InChIKeyXFKRUBPLQVXOFM-UHFFFAOYSA-N
MW368.57 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide

4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 154706179) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID154706179
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(CSC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S2/c19-24(21,22)18-8-6-16(7-9-18)20-12-10-15(11-13-20)14-23-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-14H2,(H2,19,21,22)
InChIKeyXFKRUBPLQVXOFM-UHFFFAOYSA-N
XLogP3.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide
CID 154725961
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide
CID 154703160
4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
CID 11393856
4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
CID 154703782

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide (CID 154706179) is 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(CSC3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is XFKRUBPLQVXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c19-24(21,22)18-8-6-16(7-9-18)20-12-10-15(11-13-20)14-23-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-14H2,(H2,19,21,22).
What are the key properties of 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide?
4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 368.57 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 154706179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).