1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine

C16H34N2O2S — CID 106733118

IUPAC1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-7-9-14-12-17-16(6,8-2)13-18(14)10-11-21(19,20)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyOUZSSURSJFMKDD-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.44
Rot. Bonds6

About 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine

1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine (PubChem CID 106733118) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
PubChem CID106733118
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-7-9-14-12-17-16(6,8-2)13-18(14)10-11-21(19,20)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyOUZSSURSJFMKDD-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107898018
1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
3-(2,5-diethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935969
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627433

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine (CID 106733118) is 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(CC)CN1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine?
The InChIKey is OUZSSURSJFMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-7-9-14-12-17-16(6,8-2)13-18(14)10-11-21(19,20)15(3,4)5/h14,17H,7-13H2,1-6H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine?
1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine has a molecular weight of 318.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 106733118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).