1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine

C11H24N2O2S — CID 82994653

IUPAC1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
SMILESCC(C)(C)CS(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)9-16(14,15)13-7-6-12-11(4,5)8-13/h12H,6-9H2,1-5H3
InChIKeyMQKJWLSOZNGYPK-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds2

About 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine

1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine (PubChem CID 82994653) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
PubChem CID82994653
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
SMILESCC(C)(C)CS(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)9-16(14,15)13-7-6-12-11(4,5)8-13/h12H,6-9H2,1-5H3
InChIKeyMQKJWLSOZNGYPK-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine (CID 82994653) is 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine is CC(C)(C)CS(=O)(=O)N1CCNC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine?
The InChIKey is MQKJWLSOZNGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2,3)9-16(14,15)13-7-6-12-11(4,5)8-13/h12H,6-9H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine?
1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 82994653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).