1-methylsulfonylpiperazine

C5H12N2O2S — CID 709161

IUPAC1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChIKeyZZAKLGGGMWORRT-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.15
Rot. Bonds1

About 1-methylsulfonylpiperazine

1-methylsulfonylpiperazine (PubChem CID 709161) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-methylsulfonylpiperazine
PubChem CID709161
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChIKeyZZAKLGGGMWORRT-UHFFFAOYSA-N
XLogP-1.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
4-methylpiperidine;1-methylsulfonylpiperidin-4-one
CID 158739845
1-cyclopropylsulfonylpiperazine
CID 45496790
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
CID 142156439
1-iodo-4-methylsulfonylpiperazine
CID 129191929
1-butylsulfonylpiperazine
CID 16769079
1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride
CID 138039753
1-tert-butylsulfonyl-1,4-diazepane
CID 63687283

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperazine?
The IUPAC name of 1-methylsulfonylpiperazine (CID 709161) is 1-methylsulfonylpiperazine.
What is the SMILES notation for 1-methylsulfonylpiperazine?
The canonical SMILES for 1-methylsulfonylpiperazine is CS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-methylsulfonylpiperazine?
The InChIKey is ZZAKLGGGMWORRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3.
What are the key properties of 1-methylsulfonylpiperazine?
1-methylsulfonylpiperazine has a molecular weight of 164.23 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperazine is sourced from PubChem (CID 709161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).