1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine

C15H24N4O2S — CID 4877436

IUPAC1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-2-17-9-11-18(12-10-17)15-6-5-14(13-16-15)22(20,21)19-7-3-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyLFJJFKXFTOTDTJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.01
Rot. Bonds4

About 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine

1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine (PubChem CID 4877436) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
PubChem CID4877436
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-2-17-9-11-18(12-10-17)15-6-5-14(13-16-15)22(20,21)19-7-3-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyLFJJFKXFTOTDTJ-UHFFFAOYSA-N
XLogP1.01
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The IUPAC name of 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine (CID 4877436) is 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine is CCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The InChIKey is LFJJFKXFTOTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-17-9-11-18(12-10-17)15-6-5-14(13-16-15)22(20,21)19-7-3-4-8-19/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine has a molecular weight of 324.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine is sourced from PubChem (CID 4877436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).