1-propylsulfonylpiperazine

C7H16N2O2S — CID 832241

IUPAC1-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H16N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeyLDGHUIONHQHEGM-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds3

About 1-propylsulfonylpiperazine

1-propylsulfonylpiperazine (PubChem CID 832241) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-propylsulfonylpiperazine
PubChem CID832241
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H16N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeyLDGHUIONHQHEGM-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpiperazine?
The IUPAC name of 1-propylsulfonylpiperazine (CID 832241) is 1-propylsulfonylpiperazine.
What is the SMILES notation for 1-propylsulfonylpiperazine?
The canonical SMILES for 1-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-propylsulfonylpiperazine?
The InChIKey is LDGHUIONHQHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h8H,2-7H2,1H3.
What are the key properties of 1-propylsulfonylpiperazine?
1-propylsulfonylpiperazine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperazine is sourced from PubChem (CID 832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).