5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine

C14H30N2O2S — CID 106733099

IUPAC5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCS(=O)(=O)CC)C(C)(C)CN1
InChIInChI=1S/C14H30N2O2S/c1-6-12(3)13-10-16(14(4,5)11-15-13)8-9-19(17,18)7-2/h12-13,15H,6-11H2,1-5H3
InChIKeyZDIDJHSANLCQTF-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine

5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine (PubChem CID 106733099) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
PubChem CID106733099
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCS(=O)(=O)CC)C(C)(C)CN1
InChIInChI=1S/C14H30N2O2S/c1-6-12(3)13-10-16(14(4,5)11-15-13)8-9-19(17,18)7-2/h12-13,15H,6-11H2,1-5H3
InChIKeyZDIDJHSANLCQTF-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
2,2-dimethyl-1-(3-methylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 64837894
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine (CID 106733099) is 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine is CCC(C)C1CN(CCS(=O)(=O)CC)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine?
The InChIKey is ZDIDJHSANLCQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-12(3)13-10-16(14(4,5)11-15-13)8-9-19(17,18)7-2/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine?
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 106733099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).