1-ethylsulfonyl-4-pentan-3-ylpiperazine

C11H24N2O2S — CID 777525

IUPAC1-ethylsulfonyl-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H24N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h11H,4-10H2,1-3H3
InChIKeyJNUBHCOWFDPYNI-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds5

About 1-ethylsulfonyl-4-pentan-3-ylpiperazine

1-ethylsulfonyl-4-pentan-3-ylpiperazine (PubChem CID 777525) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-pentan-3-ylpiperazine
PubChem CID777525
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-ethylsulfonyl-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H24N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h11H,4-10H2,1-3H3
InChIKeyJNUBHCOWFDPYNI-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-pentan-3-ylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-pentan-3-ylpiperazine (CID 777525) is 1-ethylsulfonyl-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-pentan-3-ylpiperazine?
The InChIKey is JNUBHCOWFDPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-pentan-3-ylpiperazine?
1-ethylsulfonyl-4-pentan-3-ylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-pentan-3-ylpiperazine is sourced from PubChem (CID 777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).