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

C20H27NO5S2 — CID 90590714

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 Name1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID90590714
Molecular FormulaC20H27NO5S2
Molecular Weight425.57 g/mol
Exact Mass425.13
IUPAC Name1-(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
XLogP3.35
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
CID 99873558
4-(4-tert-butylphenyl)sulfonyl-7-(furan-2-yl)-1,4-thiazepane
CID 90632505

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).