2-(methoxymethyl)-1-methylsulfonylpiperazine

C7H16N2O3S — CID 57420367

IUPAC2-(methoxymethyl)-1-methylsulfonylpiperazine
SMILESCOCC1CNCCN1S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-12-6-7-5-8-3-4-9(7)13(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyDDWVQVJNORVINW-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.13
Rot. Bonds3

About 2-(methoxymethyl)-1-methylsulfonylpiperazine

2-(methoxymethyl)-1-methylsulfonylpiperazine (PubChem CID 57420367) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methylsulfonylpiperazine
PubChem CID57420367
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(methoxymethyl)-1-methylsulfonylpiperazine
SMILESCOCC1CNCCN1S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-12-6-7-5-8-3-4-9(7)13(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyDDWVQVJNORVINW-UHFFFAOYSA-N
XLogP-1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methylsulfonylpiperazine?
The IUPAC name of 2-(methoxymethyl)-1-methylsulfonylpiperazine (CID 57420367) is 2-(methoxymethyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for 2-(methoxymethyl)-1-methylsulfonylpiperazine?
The canonical SMILES for 2-(methoxymethyl)-1-methylsulfonylpiperazine is COCC1CNCCN1S(C)(=O)=O.
What is the InChIKey of 2-(methoxymethyl)-1-methylsulfonylpiperazine?
The InChIKey is DDWVQVJNORVINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-12-6-7-5-8-3-4-9(7)13(2,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-methylsulfonylpiperazine?
2-(methoxymethyl)-1-methylsulfonylpiperazine has a molecular weight of 208.28 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 57420367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).