1-ethyl-2-ethylsulfonylpiperazine

C8H18N2O2S — CID 19848021

IUPAC1-ethyl-2-ethylsulfonylpiperazine
SMILESCCN1CCNCC1S(=O)(=O)CC
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-5-9-7-8(10)13(11,12)4-2/h8-9H,3-7H2,1-2H3
InChIKeyDGGIMOUBFGZKDE-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.33
Rot. Bonds3

About 1-ethyl-2-ethylsulfonylpiperazine

1-ethyl-2-ethylsulfonylpiperazine (PubChem CID 19848021) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-ethyl-2-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-2-ethylsulfonylpiperazine
PubChem CID19848021
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-2-ethylsulfonylpiperazine
SMILESCCN1CCNCC1S(=O)(=O)CC
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-5-9-7-8(10)13(11,12)4-2/h8-9H,3-7H2,1-2H3
InChIKeyDGGIMOUBFGZKDE-UHFFFAOYSA-N
XLogP-0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
2-Methylsulfonylpiperazine
CID 17915584
Methylsulfonyl propyl piperazine
CID 91804237
Piperazinyl-1-ethanesulfonic acid sodium salt
CID 129851795
1-(2-Methanesulfinylethyl)piperazine
CID 51342128
N-ethylpiperazine sulfamide
CID 146020737
1,4-Dimethylpiperazinium butyl sulfonate
CID 155817884
Piperazinium butanesulfonate
CID 168477358
1-Methyl-4-[2-(trifluoromethylsulfonyl)ethyl]piperazine-1,4-diium
CID 2309895

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-ethylsulfonylpiperazine?
The IUPAC name of 1-ethyl-2-ethylsulfonylpiperazine (CID 19848021) is 1-ethyl-2-ethylsulfonylpiperazine.
What is the SMILES notation for 1-ethyl-2-ethylsulfonylpiperazine?
The canonical SMILES for 1-ethyl-2-ethylsulfonylpiperazine is CCN1CCNCC1S(=O)(=O)CC.
What is the InChIKey of 1-ethyl-2-ethylsulfonylpiperazine?
The InChIKey is DGGIMOUBFGZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10-6-5-9-7-8(10)13(11,12)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2-ethylsulfonylpiperazine?
1-ethyl-2-ethylsulfonylpiperazine has a molecular weight of 206.31 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-ethylsulfonylpiperazine is sourced from PubChem (CID 19848021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).