1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine

C11H23N3O2S — CID 52575909

IUPAC1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C11H23N3O2S/c1-11-4-3-5-14(10-11)17(15,16)13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyAZPXPIRERSFJIS-LLVKDONJSA-N
MW261.39 g/mol
LogP0.21
Rot. Bonds2

About 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine

1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine (PubChem CID 52575909) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine
PubChem CID52575909
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C11H23N3O2S/c1-11-4-3-5-14(10-11)17(15,16)13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyAZPXPIRERSFJIS-LLVKDONJSA-N
XLogP0.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine (CID 52575909) is 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine is C[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine?
The InChIKey is AZPXPIRERSFJIS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-11-4-3-5-14(10-11)17(15,16)13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine?
1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine has a molecular weight of 261.39 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 52575909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).