1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine

C13H27N3O3S — CID 131892932

IUPAC1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine
SMILESCOCCC1CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-7-9-15(10-8-14)20(17,18)16-6-3-4-13(12-16)5-11-19-2/h13H,3-12H2,1-2H3
InChIKeyGGGXYASOKXDEQR-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.23
Rot. Bonds5

About 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine

1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine (PubChem CID 131892932) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine
PubChem CID131892932
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine
SMILESCOCCC1CCCN(S(=O)(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-7-9-15(10-8-14)20(17,18)16-6-3-4-13(12-16)5-11-19-2/h13H,3-12H2,1-2H3
InChIKeyGGGXYASOKXDEQR-UHFFFAOYSA-N
XLogP0.23
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine (CID 131892932) is 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine is COCCC1CCCN(S(=O)(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine?
The InChIKey is GGGXYASOKXDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14-7-9-15(10-8-14)20(17,18)16-6-3-4-13(12-16)5-11-19-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine?
1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine has a molecular weight of 305.44 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 131892932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).