(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride

C11H24ClN3O2S — CID 120716948

IUPAC(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCNC[C@H]2C)CC1.Cl
InChIInChI=1S/C11H23N3O2S.ClH/c1-10-3-6-13(7-4-10)17(15,16)14-8-5-12-9-11(14)2;/h10-12H,3-9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyDBQALXLOBTZFNR-RFVHGSKJSA-N
MW297.85 g/mol
LogP0.68
Rot. Bonds2

About (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride

(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120716948) has the molecular formula C11H24ClN3O2S and a molecular weight of 297.85 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
PubChem CID120716948
Molecular FormulaC11H24ClN3O2S
Molecular Weight297.85 g/mol
Exact Mass297.13
IUPAC Name(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCNC[C@H]2C)CC1.Cl
InChIInChI=1S/C11H23N3O2S.ClH/c1-10-3-6-13(7-4-10)17(15,16)14-8-5-12-9-11(14)2;/h10-12H,3-9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyDBQALXLOBTZFNR-RFVHGSKJSA-N
XLogP0.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
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2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
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[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride (CID 120716948) is (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride is CC1CCN(S(=O)(=O)N2CCNC[C@H]2C)CC1.Cl.
What is the InChIKey of (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is DBQALXLOBTZFNR-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H23N3O2S.ClH/c1-10-3-6-13(7-4-10)17(15,16)14-8-5-12-9-11(14)2;/h10-12H,3-9H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120716948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).