2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate

C10H20N2O4S — CID 68523896

IUPAC2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)8-16-10(13)11-4-6-12(7-5-11)17(3,14)15/h9H,4-8H2,1-3H3
InChIKeyLJEYKSVWYODEGO-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.36
Rot. Bonds3

About 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate

2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate (PubChem CID 68523896) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate
PubChem CID68523896
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)8-16-10(13)11-4-6-12(7-5-11)17(3,14)15/h9H,4-8H2,1-3H3
InChIKeyLJEYKSVWYODEGO-UHFFFAOYSA-N
XLogP0.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate (CID 68523896) is 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate is CC(C)COC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate?
The InChIKey is LJEYKSVWYODEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)8-16-10(13)11-4-6-12(7-5-11)17(3,14)15/h9H,4-8H2,1-3H3.
What are the key properties of 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate?
2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 68523896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).