2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine

C15H30N2O2S — CID 106732968

IUPAC2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C)(C)NCC1(C)C1CC1
InChIInChI=1S/C15H30N2O2S/c1-5-9-20(18,19)10-8-17-12-14(2,3)16-11-15(17,4)13-6-7-13/h13,16H,5-12H2,1-4H3
InChIKeyQVBAJNJKSVMOER-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds6

About 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine

2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732968) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732968
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C)(C)NCC1(C)C1CC1
InChIInChI=1S/C15H30N2O2S/c1-5-9-20(18,19)10-8-17-12-14(2,3)16-11-15(17,4)13-6-7-13/h13,16H,5-12H2,1-4H3
InChIKeyQVBAJNJKSVMOER-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

2-cyclopropyl-1-(2-methoxyethyl)-2,5,5-trimethylpiperazine
CID 64841123
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956
2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518869
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-2,5-dimethylpiperazine
CID 81114433
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106733294
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 64843827
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine (CID 106732968) is 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(C)(C)NCC1(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is QVBAJNJKSVMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-9-20(18,19)10-8-17-12-14(2,3)16-11-15(17,4)13-6-7-13/h13,16H,5-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine?
2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).