5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine

C16H34N2O2S — CID 65097167

IUPAC5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CCCS(=O)(=O)CC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-16(7-2)13-18(15(12-17-16)14(4)5)10-9-11-21(19,20)8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyVHSLSHJBLYKACH-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.30
Rot. Bonds8

About 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine

5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine (PubChem CID 65097167) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
PubChem CID65097167
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CCCS(=O)(=O)CC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-16(7-2)13-18(15(12-17-16)14(4)5)10-9-11-21(19,20)8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyVHSLSHJBLYKACH-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432749
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298471

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine (CID 65097167) is 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine is CCC1(CC)CN(CCCS(=O)(=O)CC)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is VHSLSHJBLYKACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-6-16(7-2)13-18(15(12-17-16)14(4)5)10-9-11-21(19,20)8-3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine?
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 318.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 65097167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).