2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

C15H32N2O2S — CID 64849321

IUPAC2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CC1CN(CCS(C)(=O)=O)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-12(2)8-14-11-17(6-7-20(5,18)19)15(10-16-14)9-13(3)4/h12-16H,6-11H2,1-5H3
InChIKeyYPTOLONFCRWRIZ-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.77
Rot. Bonds7

About 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64849321) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
PubChem CID64849321
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CC1CN(CCS(C)(=O)=O)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-12(2)8-14-11-17(6-7-20(5,18)19)15(10-16-14)9-13(3)4/h12-16H,6-11H2,1-5H3
InChIKeyYPTOLONFCRWRIZ-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
2-[(2S,5S,8S,11S)-7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 153325403
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (CID 64849321) is 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is CC(C)CC1CN(CCS(C)(=O)=O)C(CC(C)C)CN1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is YPTOLONFCRWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-12(2)8-14-11-17(6-7-20(5,18)19)15(10-16-14)9-13(3)4/h12-16H,6-11H2,1-5H3.
What are the key properties of 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64849321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).