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

C11H24N2O3S — CID 82994734

IUPAC3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-5-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3
InChIKeyTWWUMPDKDZMUHV-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds5

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

3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (PubChem CID 82994734) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
PubChem CID82994734
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-5-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3
InChIKeyTWWUMPDKDZMUHV-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (CID 82994734) is 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is CC(C)OCCS(=O)(=O)N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The InChIKey is TWWUMPDKDZMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-5-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine has a molecular weight of 264.39 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is sourced from PubChem (CID 82994734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).