1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

Name: 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₇NO₅S₂ — CID 90590714

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1

InChIInChI=1S/C20H27NO5S2/c1-20(2,3)16-6-8-19(9-7-16)28(24,25)21-12-10-18(11-13-21)27(22,23)15-17-5-4-14-26-17/h4-9,14,18H,10-13,15H2,1-3H3

InChIKeyWNVYNJBPICHLKY-UHFFFAOYSA-N

MW425.57 g/mol

LogP3.35

Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 90590714) has the molecular formula C₂₀H₂₇NO₅S₂ and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name	1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID	90590714
Molecular Formula	C₂₀H₂₇NO₅S₂
Molecular Weight	425.57 g/mol
Exact Mass	425.13
IUPAC Name	1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILES	CC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChI	InChI=1S/C20H27NO5S2/c1-20(2,3)16-6-8-19(9-7-16)28(24,25)21-12-10-18(11-13-21)27(22,23)15-17-5-4-14-26-17/h4-9,14,18H,10-13,15H2,1-3H3
InChIKey	WNVYNJBPICHLKY-UHFFFAOYSA-N
XLogP	3.35
TPSA	84.66 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?

The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 90590714) is 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?

The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?

The InChIKey is WNVYNJBPICHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S2/c1-20(2,3)16-6-8-19(9-7-16)28(24,25)21-12-10-18(11-13-21)27(22,23)15-17-5-4-14-26-17/h4-9,14,18H,10-13,15H2,1-3H3.

What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?

1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 425.57 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 90590714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 90590714 — identifiers, structure, computed properties (public domain)

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