2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine

C15H30N2O2S — CID 64837859

IUPAC2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCS(C)(=O)=O)C(C)(C2CC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-6-14-11-17(9-5-10-20(3,18)19)15(2,12-16-14)13-7-8-13/h13-14,16H,4-12H2,1-3H3
InChIKeyMRTHJXPSFSMLFV-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds7

About 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine

2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine (PubChem CID 64837859) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine
PubChem CID64837859
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCS(C)(=O)=O)C(C)(C2CC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-6-14-11-17(9-5-10-20(3,18)19)15(2,12-16-14)13-7-8-13/h13-14,16H,4-12H2,1-3H3
InChIKeyMRTHJXPSFSMLFV-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propylpiperazine
CID 64839994
2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64845231
2-cyclopropyl-2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170718
2-cyclopropyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]-5-propylpiperazine
CID 106458552
1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
CID 64841098
2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64848952
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64839799
1-cycloheptyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 82937285
1-butyl-2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64838885

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine (CID 64837859) is 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine is CCCC1CN(CCCS(C)(=O)=O)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine?
The InChIKey is MRTHJXPSFSMLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-6-14-11-17(9-5-10-20(3,18)19)15(2,12-16-14)13-7-8-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine?
2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 7 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)-5-propylpiperazine is sourced from PubChem (CID 64837859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).