4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine

C13H21NO5S2 — CID 90590673

IUPAC4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyKQAFBXCTDXTYPD-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.40
Rot. Bonds5

About 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine

4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine (PubChem CID 90590673) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
PubChem CID90590673
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Name4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyKQAFBXCTDXTYPD-UHFFFAOYSA-N
XLogP1.40
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 134086012

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine (CID 90590673) is 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?
The InChIKey is KQAFBXCTDXTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine has a molecular weight of 335.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 90590673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).