2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

C11H24N2O2S — CID 106725856

IUPAC2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1CNCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-4-11-9-12-5-6-13(11)7-8-16(14,15)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyYYZKYTITIDXKHR-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds5

About 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 106725856) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID106725856
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1CNCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-4-11-9-12-5-6-13(11)7-8-16(14,15)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyYYZKYTITIDXKHR-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 103815391
4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 64931512
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
2-ethyl-1-(2-methylbutyl)piperazine
CID 63601291
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112589887
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
acetic acid;azane;1,2-diethylpiperazine
CID 174720092

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (CID 106725856) is 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is CCC1CNCCN1CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is YYZKYTITIDXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-11-9-12-5-6-13(11)7-8-16(14,15)10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 106725856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).