1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine

C11H17NO3S — CID 121183071

IUPAC1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C11H17NO3S/c1-16(13,14)11-2-5-12(6-3-11)8-10-4-7-15-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyCATPKKYVVBJTQF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.29
Rot. Bonds3

About 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine

1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine (PubChem CID 121183071) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
PubChem CID121183071
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C11H17NO3S/c1-16(13,14)11-2-5-12(6-3-11)8-10-4-7-15-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyCATPKKYVVBJTQF-UHFFFAOYSA-N
XLogP1.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine (CID 121183071) is 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine?
The InChIKey is CATPKKYVVBJTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-16(13,14)11-2-5-12(6-3-11)8-10-4-7-15-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine?
1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine is sourced from PubChem (CID 121183071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).