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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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).