1-(1-methylsulfonylethyl)piperazine

C7H16N2O2S — CID 117037867

IUPAC1-(1-methylsulfonylethyl)piperazine
SMILESCC(N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(12(2,10)11)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyGJJDCLUBUDQXCC-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.72
Rot. Bonds2

About 1-(1-methylsulfonylethyl)piperazine

1-(1-methylsulfonylethyl)piperazine (PubChem CID 117037867) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(1-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(1-methylsulfonylethyl)piperazine
PubChem CID117037867
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(1-methylsulfonylethyl)piperazine
SMILESCC(N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(12(2,10)11)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyGJJDCLUBUDQXCC-UHFFFAOYSA-N
XLogP-0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-ylpiperazine;vanadium
CID 162375922
2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
CID 19008585
1-methylsulfonylpiperazine
CID 709161
N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 174938739
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-piperazin-1-ylethanol;propane-1-sulfonic acid
CID 22495055
1-piperazin-1-ylpentane-1-sulfonic acid
CID 139490607
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
N-(1-piperazin-1-ylethyl)formamide
CID 87225423
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(1-methylsulfonylethyl)piperazine (CID 117037867) is 1-(1-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(1-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(1-methylsulfonylethyl)piperazine is CC(N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonylethyl)piperazine?
The InChIKey is GJJDCLUBUDQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(12(2,10)11)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylethyl)piperazine?
1-(1-methylsulfonylethyl)piperazine has a molecular weight of 192.28 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylethyl)piperazine is sourced from PubChem (CID 117037867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).