2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine

C11H22N2O3S — CID 65460955

IUPAC2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2)9-12-5-6-13(11)17(14,15)10-3-7-16-8-4-10/h10,12H,3-9H2,1-2H3
InChIKeyRCLLGSCRTLOTAX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds2

About 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine

2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine (PubChem CID 65460955) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine
PubChem CID65460955
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2)9-12-5-6-13(11)17(14,15)10-3-7-16-8-4-10/h10,12H,3-9H2,1-2H3
InChIKeyRCLLGSCRTLOTAX-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine (CID 65460955) is 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine is CC1(C)CNCCN1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine?
The InChIKey is RCLLGSCRTLOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2)9-12-5-6-13(11)17(14,15)10-3-7-16-8-4-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine?
2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine has a molecular weight of 262.37 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine is sourced from PubChem (CID 65460955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).