1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine

C12H19NO3S — CID 121183067

IUPAC1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
SMILESCc1ccc(CN2CCC(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H19NO3S/c1-10-3-4-11(16-10)9-13-7-5-12(6-8-13)17(2,14)15/h3-4,12H,5-9H2,1-2H3
InChIKeyMPFQAKDRGYIGJX-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.60
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine

1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine (PubChem CID 121183067) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
PubChem CID121183067
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
SMILESCc1ccc(CN2CCC(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C12H19NO3S/c1-10-3-4-11(16-10)9-13-7-5-12(6-8-13)17(2,14)15/h3-4,12H,5-9H2,1-2H3
InChIKeyMPFQAKDRGYIGJX-UHFFFAOYSA-N
XLogP1.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 99782185
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
(5aR,9aS)-8-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97409986
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521499
1-[(5-methylfuran-2-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17060392
1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183065
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine (CID 121183067) is 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine is Cc1ccc(CN2CCC(S(C)(=O)=O)CC2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine?
The InChIKey is MPFQAKDRGYIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10-3-4-11(16-10)9-13-7-5-12(6-8-13)17(2,14)15/h3-4,12H,5-9H2,1-2H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine?
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine has a molecular weight of 257.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine is sourced from PubChem (CID 121183067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).