1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine

C13H28N2O2S — CID 58756755

IUPAC1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)10-14-6-8-15(9-7-14)18(16,17)11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyLPFRXPLTXSBACL-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.64
Rot. Bonds4

About 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine

1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine (PubChem CID 58756755) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine
PubChem CID58756755
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)10-14-6-8-15(9-7-14)18(16,17)11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyLPFRXPLTXSBACL-UHFFFAOYSA-N
XLogP1.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine (CID 58756755) is 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine?
The InChIKey is LPFRXPLTXSBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)10-14-6-8-15(9-7-14)18(16,17)11-13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine?
1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 58756755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).