1-ethylsulfonyl-4-propylpiperazine

C9H20N2O2S — CID 22772808

IUPAC1-ethylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-5-10-6-8-11(9-7-10)14(12,13)4-2/h3-9H2,1-2H3
InChIKeyAKCKWXLOXIQNSB-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds4

About 1-ethylsulfonyl-4-propylpiperazine

1-ethylsulfonyl-4-propylpiperazine (PubChem CID 22772808) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-propylpiperazine
PubChem CID22772808
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-5-10-6-8-11(9-7-10)14(12,13)4-2/h3-9H2,1-2H3
InChIKeyAKCKWXLOXIQNSB-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-propylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-propylpiperazine (CID 22772808) is 1-ethylsulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-propylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-propylpiperazine?
The InChIKey is AKCKWXLOXIQNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-5-10-6-8-11(9-7-10)14(12,13)4-2/h3-9H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-propylpiperazine?
1-ethylsulfonyl-4-propylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-propylpiperazine is sourced from PubChem (CID 22772808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).