2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine

C14H17NO3S — CID 91370144

IUPAC2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1c1ccc2occc2c1
InChIInChI=1S/C14H17NO3S/c1-19(16,17)15-8-3-2-4-13(15)11-5-6-14-12(10-11)7-9-18-14/h5-7,9-10,13H,2-4,8H2,1H3
InChIKeyAUIAKQQAEKFGON-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.92
Rot. Bonds2

About 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine

2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine (PubChem CID 91370144) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine
PubChem CID91370144
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1c1ccc2occc2c1
InChIInChI=1S/C14H17NO3S/c1-19(16,17)15-8-3-2-4-13(15)11-5-6-14-12(10-11)7-9-18-14/h5-7,9-10,13H,2-4,8H2,1H3
InChIKeyAUIAKQQAEKFGON-UHFFFAOYSA-N
XLogP2.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110102004
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185
4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 95804534
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
3-(3-methylphenyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 42765424

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine (CID 91370144) is 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCCC1c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine?
The InChIKey is AUIAKQQAEKFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(16,17)15-8-3-2-4-13(15)11-5-6-14-12(10-11)7-9-18-14/h5-7,9-10,13H,2-4,8H2,1H3.
What are the key properties of 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine?
2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine has a molecular weight of 279.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 91370144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).