1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine

C14H21N3O2S — CID 65421339

IUPAC1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine
SMILESO=S(=O)(C1CCNC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,14-6-7-15-12-14)17-10-8-16(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyJTFHMLFTXMIFRX-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.50
Rot. Bonds3

About 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine

1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine (PubChem CID 65421339) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine
PubChem CID65421339
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine
SMILESO=S(=O)(C1CCNC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,14-6-7-15-12-14)17-10-8-16(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyJTFHMLFTXMIFRX-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine?
The IUPAC name of 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine (CID 65421339) is 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine is O=S(=O)(C1CCNC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine?
The InChIKey is JTFHMLFTXMIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,14-6-7-15-12-14)17-10-8-16(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine?
1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine has a molecular weight of 295.41 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine is sourced from PubChem (CID 65421339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).