1-pentylsulfonylpiperazine

C9H20N2O2S — CID 52908278

IUPAC1-pentylsulfonylpiperazine
SMILESCCCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-4-9-14(12,13)11-7-5-10-6-8-11/h10H,2-9H2,1H3
InChIKeyPCBSNHBZMQAWQW-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds5

About 1-pentylsulfonylpiperazine

1-pentylsulfonylpiperazine (PubChem CID 52908278) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-pentylsulfonylpiperazine.

Molecular Properties

Compound Name1-pentylsulfonylpiperazine
PubChem CID52908278
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-pentylsulfonylpiperazine
SMILESCCCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-4-9-14(12,13)11-7-5-10-6-8-11/h10H,2-9H2,1H3
InChIKeyPCBSNHBZMQAWQW-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentylsulfonylpiperazine?
The IUPAC name of 1-pentylsulfonylpiperazine (CID 52908278) is 1-pentylsulfonylpiperazine.
What is the SMILES notation for 1-pentylsulfonylpiperazine?
The canonical SMILES for 1-pentylsulfonylpiperazine is CCCCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-pentylsulfonylpiperazine?
The InChIKey is PCBSNHBZMQAWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-3-4-9-14(12,13)11-7-5-10-6-8-11/h10H,2-9H2,1H3.
What are the key properties of 1-pentylsulfonylpiperazine?
1-pentylsulfonylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfonylpiperazine is sourced from PubChem (CID 52908278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).