4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine

C19H25NO6S2 — CID 71808930

IUPAC4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H25NO6S2/c21-27(22,16-18-8-4-13-26-18)19-9-11-20(12-10-19)28(23,24)15-5-14-25-17-6-2-1-3-7-17/h1-4,6-8,13,19H,5,9-12,14-16H2
InChIKeyFLCQAZDAJUEGDW-UHFFFAOYSA-N
MW427.54 g/mol
LogP2.46
Rot. Bonds9

About 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine

4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine (PubChem CID 71808930) has the molecular formula C19H25NO6S2 and a molecular weight of 427.54 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine
PubChem CID71808930
Molecular FormulaC19H25NO6S2
Molecular Weight427.54 g/mol
Exact Mass427.11
IUPAC Name4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H25NO6S2/c21-27(22,16-18-8-4-13-26-18)19-9-11-20(12-10-19)28(23,24)15-5-14-25-17-6-2-1-3-7-17/h1-4,6-8,13,19H,5,9-12,14-16H2
InChIKeyFLCQAZDAJUEGDW-UHFFFAOYSA-N
XLogP2.46
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine (CID 71808930) is 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine is O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine?
The InChIKey is FLCQAZDAJUEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6S2/c21-27(22,16-18-8-4-13-26-18)19-9-11-20(12-10-19)28(23,24)15-5-14-25-17-6-2-1-3-7-17/h1-4,6-8,13,19H,5,9-12,14-16H2.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine?
4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine has a molecular weight of 427.54 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-1-(3-phenoxypropylsulfonyl)piperidine is sourced from PubChem (CID 71808930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).