3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine

C11H24N2O3S — CID 79594489

IUPAC3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCOC(C)C)CC(C)N1
InChIInChI=1S/C11H24N2O3S/c1-9(2)16-5-6-17(14,15)13-7-10(3)12-11(4)8-13/h9-12H,5-8H2,1-4H3
InChIKeyYTBVPBIEWQLGPY-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.42
Rot. Bonds5

About 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine

3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (PubChem CID 79594489) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
PubChem CID79594489
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCOC(C)C)CC(C)N1
InChIInChI=1S/C11H24N2O3S/c1-9(2)16-5-6-17(14,15)13-7-10(3)12-11(4)8-13/h9-12H,5-8H2,1-4H3
InChIKeyYTBVPBIEWQLGPY-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (CID 79594489) is 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CCOC(C)C)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The InChIKey is YTBVPBIEWQLGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)16-5-6-17(14,15)13-7-10(3)12-11(4)8-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine has a molecular weight of 264.39 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is sourced from PubChem (CID 79594489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).