5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine

C15H30N2O2S — CID 106733294

IUPAC5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H30N2O2S/c1-4-9-20(18,19)10-8-17-11-14(13-6-7-13)16-12-15(17,3)5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyKYYBEXKAAIMONT-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds7

About 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine

5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106733294) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106733294
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H30N2O2S/c1-4-9-20(18,19)10-8-17-11-14(13-6-7-13)16-12-15(17,3)5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyKYYBEXKAAIMONT-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

5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
CID 113474592
3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733303
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733291
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106732968

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine (CID 106733294) is 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(C2CC2)NCC1(C)CC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is KYYBEXKAAIMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-9-20(18,19)10-8-17-11-14(13-6-7-13)16-12-15(17,3)5-2/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine?
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine 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 5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106733294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).