methyl 4-methylsulfonylpiperazine-1-carboxylate

C7H14N2O4S — CID 59350808

IUPACmethyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)8-3-5-9(6-4-8)14(2,11)12/h3-6H2,1-2H3
InChIKeyWQFUXDBAZPVSPK-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.67
Rot. Bonds1

About methyl 4-methylsulfonylpiperazine-1-carboxylate

methyl 4-methylsulfonylpiperazine-1-carboxylate (PubChem CID 59350808) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 4-methylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylsulfonylpiperazine-1-carboxylate
PubChem CID59350808
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Namemethyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)8-3-5-9(6-4-8)14(2,11)12/h3-6H2,1-2H3
InChIKeyWQFUXDBAZPVSPK-UHFFFAOYSA-N
XLogP-0.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylsulfonylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-methylsulfonylpiperazine-1-carboxylate (CID 59350808) is methyl 4-methylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-methylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-methylsulfonylpiperazine-1-carboxylate is COC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methyl 4-methylsulfonylpiperazine-1-carboxylate?
The InChIKey is WQFUXDBAZPVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-13-7(10)8-3-5-9(6-4-8)14(2,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 4-methylsulfonylpiperazine-1-carboxylate?
methyl 4-methylsulfonylpiperazine-1-carboxylate has a molecular weight of 222.27 g/mol, XLogP of -0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 59350808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).