1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine

C11H24N2O2S — CID 126759837

IUPAC1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-5-12-6-8-13(9-7-12)16(14,15)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyXECWSZFMDQPQPV-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds3

About 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine

1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine (PubChem CID 126759837) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
PubChem CID126759837
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-5-12-6-8-13(9-7-12)16(14,15)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyXECWSZFMDQPQPV-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445
4-bromo-1-(2,2-dimethylpropylsulfonyl)piperidine
CID 80672434
1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
CID 106837151
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304752
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
3-(2,2-dimethylpropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314221
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
CID 121038125
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]acetic acid
CID 79608808
1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
CID 54973856
3-bromo-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 80670009

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine (CID 126759837) is 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine is CCN1CCN(S(=O)(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine?
The InChIKey is XECWSZFMDQPQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-12-6-8-13(9-7-12)16(14,15)10-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine?
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 3 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-ethylpiperazine is sourced from PubChem (CID 126759837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).