1-(oxan-4-ylsulfonyl)piperazine

C9H18N2O3S — CID 62050105

IUPAC1-(oxan-4-ylsulfonyl)piperazine
SMILESO=S(=O)(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-1-7-14-8-2-9)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyDVYGWYQXZHBQJP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.60
Rot. Bonds2

About 1-(oxan-4-ylsulfonyl)piperazine

1-(oxan-4-ylsulfonyl)piperazine (PubChem CID 62050105) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)piperazine
PubChem CID62050105
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-(oxan-4-ylsulfonyl)piperazine
SMILESO=S(=O)(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-1-7-14-8-2-9)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyDVYGWYQXZHBQJP-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)piperazine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)piperazine (CID 62050105) is 1-(oxan-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)piperazine is O=S(=O)(C1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)piperazine?
The InChIKey is DVYGWYQXZHBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-15(13,9-1-7-14-8-2-9)11-5-3-10-4-6-11/h9-10H,1-8H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)piperazine?
1-(oxan-4-ylsulfonyl)piperazine has a molecular weight of 234.32 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)piperazine is sourced from PubChem (CID 62050105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).