1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

C18H23NO5S2 — CID 90590683

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1
InChIInChI=1S/C18H23NO5S2/c1-14-5-6-15(2)18(12-14)26(22,23)19-9-7-17(8-10-19)25(20,21)13-16-4-3-11-24-16/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyGSFFUHBHDMTEBS-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 90590683) has the molecular formula C18H23NO5S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID90590683
Molecular FormulaC18H23NO5S2
Molecular Weight397.52 g/mol
Exact Mass397.10
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1
InChIInChI=1S/C18H23NO5S2/c1-14-5-6-15(2)18(12-14)26(22,23)19-9-7-17(8-10-19)25(20,21)13-16-4-3-11-24-16/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyGSFFUHBHDMTEBS-UHFFFAOYSA-N
XLogP2.66
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 90590683) is 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is Cc1ccc(C)c(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is GSFFUHBHDMTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S2/c1-14-5-6-15(2)18(12-14)26(22,23)19-9-7-17(8-10-19)25(20,21)13-16-4-3-11-24-16/h3-6,11-12,17H,7-10,13H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 397.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 90590683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).