(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride

C6H15ClN2O2S — CID 66617740

IUPAC(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(C)(=O)=O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6-5-7-3-4-8(6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyISTPJJDMCAZLOO-RGMNGODLSA-N
MW214.72 g/mol
LogP-0.34
Rot. Bonds1

About (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride

(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride (PubChem CID 66617740) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride
PubChem CID66617740
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(C)(=O)=O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6-5-7-3-4-8(6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyISTPJJDMCAZLOO-RGMNGODLSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride (CID 66617740) is (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride is C[C@H]1CNCCN1S(C)(=O)=O.Cl.
What is the InChIKey of (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride?
The InChIKey is ISTPJJDMCAZLOO-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-6-5-7-3-4-8(6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride?
(2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-methylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 66617740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).