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

C12H24N2O2S — CID 64845231

IUPAC2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C2CC2)CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-12(11-4-5-11)10-13-6-8-14(12)7-3-9-17(2,15)16/h11,13H,3-10H2,1-2H3
InChIKeyPYTZLKLCQRSWFN-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds5

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

2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64845231) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64845231
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C2CC2)CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-12(11-4-5-11)10-13-6-8-14(12)7-3-9-17(2,15)16/h11,13H,3-10H2,1-2H3
InChIKeyPYTZLKLCQRSWFN-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine
CID 64837859
2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170422
2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
CID 64844633
2-cyclopropyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpiperazine
CID 104567834
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
2-cyclopropyl-2-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141179
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627
3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64834039
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
CID 65460748
2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64845825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine (CID 64845231) is 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine is CC1(C2CC2)CNCCN1CCCS(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is PYTZLKLCQRSWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(11-4-5-11)10-13-6-8-14(12)7-3-9-17(2,15)16/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64845231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).