1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine

C14H22N2O4S — CID 71929406

IUPAC1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)N2CCCC2c2ccco2)CC1
InChIInChI=1S/C14H22N2O4S/c1-19-12-6-9-15(10-7-12)21(17,18)16-8-2-4-13(16)14-5-3-11-20-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyDSKKWMJOLNBRHV-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.77
Rot. Bonds4

About 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine

1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine (PubChem CID 71929406) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine
PubChem CID71929406
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)N2CCCC2c2ccco2)CC1
InChIInChI=1S/C14H22N2O4S/c1-19-12-6-9-15(10-7-12)21(17,18)16-8-2-4-13(16)14-5-3-11-20-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyDSKKWMJOLNBRHV-UHFFFAOYSA-N
XLogP1.77
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
(2R)-2-(5-methylfuran-2-yl)pyrrolidine
CID 7141656
2,6-Di(2-furyl)-3,5-dimethyl-1-nitroso-4-piperidinone
CID 362609
(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
CID 24894624
(2S)-1,1-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894626
2-(Furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
CID 24894627
1,1-Dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894629
(2R)-1,1-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894636
(2S)-2-(furan-2-yl)pyrrolidine
CID 7022778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine?
The IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine (CID 71929406) is 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine.
What is the SMILES notation for 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine?
The canonical SMILES for 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine is COC1CCN(S(=O)(=O)N2CCCC2c2ccco2)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine?
The InChIKey is DSKKWMJOLNBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-12-6-9-15(10-7-12)21(17,18)16-8-2-4-13(16)14-5-3-11-20-14/h3,5,11-13H,2,4,6-10H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine?
1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine has a molecular weight of 314.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-methoxypiperidine is sourced from PubChem (CID 71929406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).