2-methyl-1-(2-methylsulfonylethyl)piperazine

C8H18N2O2S — CID 62674203

IUPAC2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CNCCN1CCS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8-7-9-3-4-10(8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyQECQZGMMMANQDM-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.68
Rot. Bonds3

About 2-methyl-1-(2-methylsulfonylethyl)piperazine

2-methyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 62674203) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID62674203
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CNCCN1CCS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8-7-9-3-4-10(8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyQECQZGMMMANQDM-UHFFFAOYSA-N
XLogP-0.68
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 ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
2-(2-methylpiperazin-1-yl)ethanesulfonamide
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2-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 103815391
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
CID 64845062
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 63911805
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
4-[2-[(2S)-2-methylpiperazin-1-yl]ethylsulfonyl]benzonitrile
CID 82755904
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)piperazine (CID 62674203) is 2-methyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2-methyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2-methyl-1-(2-methylsulfonylethyl)piperazine is CC1CNCCN1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is QECQZGMMMANQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8-7-9-3-4-10(8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylsulfonylethyl)piperazine?
2-methyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 206.31 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 62674203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).