methyl 4-methylsulfonylpiperazine-1-sulfonate

C6H14N2O5S2 — CID 147859464

IUPACmethyl 4-methylsulfonylpiperazine-1-sulfonate
SMILESCOS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O5S2/c1-13-15(11,12)8-5-3-7(4-6-8)14(2,9)10/h3-6H2,1-2H3
InChIKeyHWJUEOANWNRWEJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.55
Rot. Bonds3

About methyl 4-methylsulfonylpiperazine-1-sulfonate

methyl 4-methylsulfonylpiperazine-1-sulfonate (PubChem CID 147859464) has the molecular formula C6H14N2O5S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-methylsulfonylpiperazine-1-sulfonate.

Molecular Properties

Compound Namemethyl 4-methylsulfonylpiperazine-1-sulfonate
PubChem CID147859464
Molecular FormulaC6H14N2O5S2
Molecular Weight258.32 g/mol
Exact Mass258.03
IUPAC Namemethyl 4-methylsulfonylpiperazine-1-sulfonate
SMILESCOS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O5S2/c1-13-15(11,12)8-5-3-7(4-6-8)14(2,9)10/h3-6H2,1-2H3
InChIKeyHWJUEOANWNRWEJ-UHFFFAOYSA-N
XLogP-1.55
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylsulfonylpiperazine-1-sulfonate?
The IUPAC name of methyl 4-methylsulfonylpiperazine-1-sulfonate (CID 147859464) is methyl 4-methylsulfonylpiperazine-1-sulfonate.
What is the SMILES notation for methyl 4-methylsulfonylpiperazine-1-sulfonate?
The canonical SMILES for methyl 4-methylsulfonylpiperazine-1-sulfonate is COS(=O)(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methyl 4-methylsulfonylpiperazine-1-sulfonate?
The InChIKey is HWJUEOANWNRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S2/c1-13-15(11,12)8-5-3-7(4-6-8)14(2,9)10/h3-6H2,1-2H3.
What are the key properties of methyl 4-methylsulfonylpiperazine-1-sulfonate?
methyl 4-methylsulfonylpiperazine-1-sulfonate has a molecular weight of 258.32 g/mol, XLogP of -1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylsulfonylpiperazine-1-sulfonate is sourced from PubChem (CID 147859464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).