1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine

C12H19NO3S — CID 136535298

IUPAC1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C12H19NO3S/c1-9-7-10(2)11(3)13(8-9)17(14,15)12-5-4-6-16-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyRXSUOXIHXUDVSV-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.33
Rot. Bonds2

About 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine

1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine (PubChem CID 136535298) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine
PubChem CID136535298
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C12H19NO3S/c1-9-7-10(2)11(3)13(8-9)17(14,15)12-5-4-6-16-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyRXSUOXIHXUDVSV-UHFFFAOYSA-N
XLogP2.33
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine (CID 136535298) is 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine is CC1CC(C)C(C)N(S(=O)(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine?
The InChIKey is RXSUOXIHXUDVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-7-10(2)11(3)13(8-9)17(14,15)12-5-4-6-16-12/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine?
1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine has a molecular weight of 257.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine is sourced from PubChem (CID 136535298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).