2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride

C7H15ClN2O2S — CID 55279833

IUPAC2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride
SMILESCN1CCN(CCS(=O)(=O)Cl)CC1
InChIInChI=1S/C7H15ClN2O2S/c1-9-2-4-10(5-3-9)6-7-13(8,11)12/h2-7H2,1H3
InChIKeyQJQBFCLTSPZBGT-UHFFFAOYSA-N
MW226.73 g/mol
LogP-0.20
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride

2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride (PubChem CID 55279833) has the molecular formula C7H15ClN2O2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride
PubChem CID55279833
Molecular FormulaC7H15ClN2O2S
Molecular Weight226.73 g/mol
Exact Mass226.05
IUPAC Name2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride
SMILESCN1CCN(CCS(=O)(=O)Cl)CC1
InChIInChI=1S/C7H15ClN2O2S/c1-9-2-4-10(5-3-9)6-7-13(8,11)12/h2-7H2,1H3
InChIKeyQJQBFCLTSPZBGT-UHFFFAOYSA-N
XLogP-0.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
3-(4-Methylpiperazin-1-yl)propane-1-sulfonyl chloride dihydrochloride
CID 22007517
ethylpiperazine-N'-ethanesulphonic acid
CID 18991377
2,2'-Piperazine-1,4-diylbisethanesulfonate
CID 3822203
1-(Ethylsulfonyl)-4-(methylsulfonyl)piperazine
CID 3145546
2-(4-Methylpiperazin-1-yl)ethane-1-sulfonyl chloride dihydrochloride
CID 139026799
2-(4-Methylpiperazin-1-yl)ethanesulfonic acid
CID 14799192
3-(4-Methylpiperazin-1-YL)propane-1-sulfonyl chloride
CID 22007518
Piperazine, 1-(ethylsulfonyl)-4-methyl-
CID 222674
4-Ethylsulfonyl-1,1-dimethyl-piperazin-1-ium hydroiodide
CID 504335
2-(4-Ethylpiperazin-1-yl)ethanesulfonic acid
CID 176515353
4-(1,4-Dimethylpiperazin-1-ium-1-yl)butane-1-sulfonate
CID 155817885

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride (CID 55279833) is 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride is CN1CCN(CCS(=O)(=O)Cl)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride?
The InChIKey is QJQBFCLTSPZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O2S/c1-9-2-4-10(5-3-9)6-7-13(8,11)12/h2-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride?
2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride has a molecular weight of 226.73 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 55279833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).