1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one

C14H21NO4S — CID 90590612

IUPAC1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C14H21NO4S/c1-11(2)14(16)15-7-5-13(6-8-15)20(17,18)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyBFPJVYQLEZAGGZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 90590612) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID90590612
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C14H21NO4S/c1-11(2)14(16)15-7-5-13(6-8-15)20(17,18)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyBFPJVYQLEZAGGZ-UHFFFAOYSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
CID 90590502
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590475
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 71808871
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90590539

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one (CID 90590612) is 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BFPJVYQLEZAGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)14(16)15-7-5-13(6-8-15)20(17,18)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 299.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 90590612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).