4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine

Name: 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₁NO₅S₂ — CID 90590673

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine

SMILESCC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1

InChIInChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3

InChIKeyKQAFBXCTDXTYPD-UHFFFAOYSA-N

MW335.45 g/mol

LogP1.40

Rot. Bonds5

About 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine

4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine (PubChem CID 90590673) has the molecular formula C₁₃H₂₁NO₅S₂ and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name	4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
PubChem CID	90590673
Molecular Formula	C₁₃H₂₁NO₅S₂
Molecular Weight	335.45 g/mol
Exact Mass	335.09
IUPAC Name	4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
SMILES	CC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChI	InChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKey	KQAFBXCTDXTYPD-UHFFFAOYSA-N
XLogP	1.40
TPSA	84.66 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?

The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine (CID 90590673) is 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine.

What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?

The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1.

What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?

The InChIKey is KQAFBXCTDXTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-11(2)21(17,18)14-7-5-13(6-8-14)20(15,16)10-12-4-3-9-19-12/h3-4,9,11,13H,5-8,10H2,1-2H3.

What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine?

4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine has a molecular weight of 335.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 90590673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 90590673 — identifiers, structure, computed properties (public domain)

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