1,4-bis(pentylsulfonyl)piperidine

C15H31NO4S2 — CID 67135358

IUPAC1,4-bis(pentylsulfonyl)piperidine
SMILESCCCCCS(=O)(=O)C1CCN(S(=O)(=O)CCCCC)CC1
InChIInChI=1S/C15H31NO4S2/c1-3-5-7-13-21(17,18)15-9-11-16(12-10-15)22(19,20)14-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyDIDXUOUZBVHGJA-UHFFFAOYSA-N
MW353.55 g/mol
LogP2.58
Rot. Bonds10

About 1,4-bis(pentylsulfonyl)piperidine

1,4-bis(pentylsulfonyl)piperidine (PubChem CID 67135358) has the molecular formula C15H31NO4S2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1,4-bis(pentylsulfonyl)piperidine.

Molecular Properties

Compound Name1,4-bis(pentylsulfonyl)piperidine
PubChem CID67135358
Molecular FormulaC15H31NO4S2
Molecular Weight353.55 g/mol
Exact Mass353.17
IUPAC Name1,4-bis(pentylsulfonyl)piperidine
SMILESCCCCCS(=O)(=O)C1CCN(S(=O)(=O)CCCCC)CC1
InChIInChI=1S/C15H31NO4S2/c1-3-5-7-13-21(17,18)15-9-11-16(12-10-15)22(19,20)14-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyDIDXUOUZBVHGJA-UHFFFAOYSA-N
XLogP2.58
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,4-bis(pentylsulfonyl)piperidine?
The IUPAC name of 1,4-bis(pentylsulfonyl)piperidine (CID 67135358) is 1,4-bis(pentylsulfonyl)piperidine.
What is the SMILES notation for 1,4-bis(pentylsulfonyl)piperidine?
The canonical SMILES for 1,4-bis(pentylsulfonyl)piperidine is CCCCCS(=O)(=O)C1CCN(S(=O)(=O)CCCCC)CC1.
What is the InChIKey of 1,4-bis(pentylsulfonyl)piperidine?
The InChIKey is DIDXUOUZBVHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4S2/c1-3-5-7-13-21(17,18)15-9-11-16(12-10-15)22(19,20)14-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 1,4-bis(pentylsulfonyl)piperidine?
1,4-bis(pentylsulfonyl)piperidine has a molecular weight of 353.55 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(pentylsulfonyl)piperidine is sourced from PubChem (CID 67135358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).