4-piperazin-1-ylsulfonylbutan-1-ol

C8H18N2O3S — CID 174465570

IUPAC4-piperazin-1-ylsulfonylbutan-1-ol
SMILESO=S(=O)(CCCCO)N1CCNCC1
InChIInChI=1S/C8H18N2O3S/c11-7-1-2-8-14(12,13)10-5-3-9-4-6-10/h9,11H,1-8H2
InChIKeyDCBTVHKBAKYFRV-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds5

About 4-piperazin-1-ylsulfonylbutan-1-ol

4-piperazin-1-ylsulfonylbutan-1-ol (PubChem CID 174465570) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-piperazin-1-ylsulfonylbutan-1-ol.

Molecular Properties

Compound Name4-piperazin-1-ylsulfonylbutan-1-ol
PubChem CID174465570
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name4-piperazin-1-ylsulfonylbutan-1-ol
SMILESO=S(=O)(CCCCO)N1CCNCC1
InChIInChI=1S/C8H18N2O3S/c11-7-1-2-8-14(12,13)10-5-3-9-4-6-10/h9,11H,1-8H2
InChIKeyDCBTVHKBAKYFRV-UHFFFAOYSA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
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 4-piperazin-1-ylsulfonylbutan-1-ol?
The IUPAC name of 4-piperazin-1-ylsulfonylbutan-1-ol (CID 174465570) is 4-piperazin-1-ylsulfonylbutan-1-ol.
What is the SMILES notation for 4-piperazin-1-ylsulfonylbutan-1-ol?
The canonical SMILES for 4-piperazin-1-ylsulfonylbutan-1-ol is O=S(=O)(CCCCO)N1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylsulfonylbutan-1-ol?
The InChIKey is DCBTVHKBAKYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c11-7-1-2-8-14(12,13)10-5-3-9-4-6-10/h9,11H,1-8H2.
What are the key properties of 4-piperazin-1-ylsulfonylbutan-1-ol?
4-piperazin-1-ylsulfonylbutan-1-ol has a molecular weight of 222.31 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylsulfonylbutan-1-ol is sourced from PubChem (CID 174465570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).