2-methylsulfonyl-1-propylpiperazine

C8H18N2O2S — CID 91804237

IUPAC2-methylsulfonyl-1-propylpiperazine
SMILESCCCN1CCNCC1S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-5-10-6-4-9-7-8(10)13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyVTKDMGDKJFMZGW-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.33
Rot. Bonds3

About 2-methylsulfonyl-1-propylpiperazine

2-methylsulfonyl-1-propylpiperazine (PubChem CID 91804237) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methylsulfonyl-1-propylpiperazine.

Molecular Properties

Compound Name2-methylsulfonyl-1-propylpiperazine
PubChem CID91804237
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-methylsulfonyl-1-propylpiperazine
SMILESCCCN1CCNCC1S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-5-10-6-4-9-7-8(10)13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyVTKDMGDKJFMZGW-UHFFFAOYSA-N
XLogP-0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-propylpiperazine?
The IUPAC name of 2-methylsulfonyl-1-propylpiperazine (CID 91804237) is 2-methylsulfonyl-1-propylpiperazine.
What is the SMILES notation for 2-methylsulfonyl-1-propylpiperazine?
The canonical SMILES for 2-methylsulfonyl-1-propylpiperazine is CCCN1CCNCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-propylpiperazine?
The InChIKey is VTKDMGDKJFMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-5-10-6-4-9-7-8(10)13(2,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-propylpiperazine?
2-methylsulfonyl-1-propylpiperazine has a molecular weight of 206.31 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-propylpiperazine is sourced from PubChem (CID 91804237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).