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

C7H17ClN2O2S — CID 174587316

IUPAC(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride
SMILESCC[C@H]1CNCCN1S(C)(=O)=O.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-3-7-6-8-4-5-9(7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDCRCMHFFOPFURW-FJXQXJEOSA-N
MW228.74 g/mol
LogP0.05
Rot. Bonds2

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

(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride (PubChem CID 174587316) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride
PubChem CID174587316
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Name(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride
SMILESCC[C@H]1CNCCN1S(C)(=O)=O.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-3-7-6-8-4-5-9(7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDCRCMHFFOPFURW-FJXQXJEOSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-2-propylpiperazine-1-sulfonamide
CID 120719016
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161675
(1-methylpiperazin-2-yl)methanesulfonamide
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2-ethylpiperazine-1-carbonyl chloride
CID 151342622
(2R)-2-ethyl-1-propan-2-ylpiperazine
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2-ethyl-4-methyl-1-methylsulfonylpyrrolidine
CID 131176178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride (CID 174587316) is (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride is CC[C@H]1CNCCN1S(C)(=O)=O.Cl.
What is the InChIKey of (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride?
The InChIKey is DCRCMHFFOPFURW-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-3-7-6-8-4-5-9(7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride?
(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 174587316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).