1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine

C20H32N2O2S — CID 70037679

IUPAC1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-17-5-7-20(8-6-17)25(23,24)22-15-11-19(12-16-22)4-2-3-18-9-13-21-14-10-18/h5-8,18-19,21H,2-4,9-16H2,1H3
InChIKeyUKDGYVLBIQEHTJ-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine

1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine (PubChem CID 70037679) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
PubChem CID70037679
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-17-5-7-20(8-6-17)25(23,24)22-15-11-19(12-16-22)4-2-3-18-9-13-21-14-10-18/h5-8,18-19,21H,2-4,9-16H2,1H3
InChIKeyUKDGYVLBIQEHTJ-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 142200893
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-(3,5-dichloro-4-methylphenyl)sulfonyl-4-(2-piperidin-4-ylethyl)piperidine
CID 142200902
1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953
5-methyl-1-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 82247239
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119535384
4-[4-(2,6-dichlorophenoxy)butyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 162401849
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
4-[4-(2,6-difluorophenoxy)butyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 132548322
(3R)-3-[3-(1,3-dioxan-2-yl)propyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134948074
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine (CID 70037679) is 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine is Cc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The InChIKey is UKDGYVLBIQEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-17-5-7-20(8-6-17)25(23,24)22-15-11-19(12-16-22)4-2-3-18-9-13-21-14-10-18/h5-8,18-19,21H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine has a molecular weight of 364.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine is sourced from PubChem (CID 70037679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).