1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine

C10H21N3O2S — CID 110705738

IUPAC1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C10H21N3O2S/c1-2-11-7-9-13(10-8-11)16(14,15)12-5-3-4-6-12/h2-10H2,1H3
InChIKeyHKAUQYNYVWUMQB-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.04
Rot. Bonds3

About 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine

1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 110705738) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID110705738
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C10H21N3O2S/c1-2-11-7-9-13(10-8-11)16(14,15)12-5-3-4-6-12/h2-10H2,1H3
InChIKeyHKAUQYNYVWUMQB-UHFFFAOYSA-N
XLogP-0.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine (CID 110705738) is 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine is CCN1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is HKAUQYNYVWUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-2-11-7-9-13(10-8-11)16(14,15)12-5-3-4-6-12/h2-10H2,1H3.
What are the key properties of 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine?
1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 247.36 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 110705738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).