3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

C13H26N2O2S — CID 79550753

IUPAC3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCC1(C2CC2)CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C13H26N2O2S/c1-12(2,18(4,16)17)9-15-8-7-14-13(3,10-15)11-5-6-11/h11,14H,5-10H2,1-4H3
InChIKeyZETUTEAWPZAWAZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.88
Rot. Bonds4

About 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (PubChem CID 79550753) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
PubChem CID79550753
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCC1(C2CC2)CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C13H26N2O2S/c1-12(2,18(4,16)17)9-15-8-7-14-13(3,10-15)11-5-6-11/h11,14H,5-10H2,1-4H3
InChIKeyZETUTEAWPZAWAZ-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550304
9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 79550121
4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
CID 79550124
3,3-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550666
3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane
CID 103465296
3-cyclopropyl-3-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329737
3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550120
1-(3-cyclopentylpropyl)-3-cyclopropyl-3-methylpiperazine
CID 106008956
3-cyclopropyl-3-methyl-1-octylpiperazine
CID 64833492
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654
3-cyclopropyl-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141153
3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64832698

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (CID 79550753) is 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is CC1(C2CC2)CN(CC(C)(C)S(C)(=O)=O)CCN1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The InChIKey is ZETUTEAWPZAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2,18(4,16)17)9-15-8-7-14-13(3,10-15)11-5-6-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 79550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).