4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine

C15H25N5O2S — CID 70703312

IUPAC4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-2-13-23(21,22)20-11-9-18(10-12-20)14-5-6-16-15(17-14)19-7-3-4-8-19/h5-6H,2-4,7-13H2,1H3
InChIKeyZBFLVUBIJCSANM-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.94
Rot. Bonds5

About 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine

4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 70703312) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID70703312
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-2-13-23(21,22)20-11-9-18(10-12-20)14-5-6-16-15(17-14)19-7-3-4-8-19/h5-6H,2-4,7-13H2,1H3
InChIKeyZBFLVUBIJCSANM-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 70703312) is 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine is CCCS(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is ZBFLVUBIJCSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-2-13-23(21,22)20-11-9-18(10-12-20)14-5-6-16-15(17-14)19-7-3-4-8-19/h5-6H,2-4,7-13H2,1H3.
What are the key properties of 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 339.47 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 70703312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).