4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

C14H23N5O2S — CID 70703102

IUPAC4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESCS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)19-11-9-17(10-12-19)13-5-6-15-14(16-13)18-7-3-2-4-8-18/h5-6H,2-4,7-12H2,1H3
InChIKeyBBXTZJKTIVZJDL-UHFFFAOYSA-N
MW325.44 g/mol
LogP0.55
Rot. Bonds3

About 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (PubChem CID 70703102) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
PubChem CID70703102
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESCS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)19-11-9-17(10-12-19)13-5-6-15-14(16-13)18-7-3-2-4-8-18/h5-6H,2-4,7-12H2,1H3
InChIKeyBBXTZJKTIVZJDL-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (CID 70703102) is 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is CS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The InChIKey is BBXTZJKTIVZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-22(20,21)19-11-9-17(10-12-19)13-5-6-15-14(16-13)18-7-3-2-4-8-18/h5-6H,2-4,7-12H2,1H3.
What are the key properties of 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine has a molecular weight of 325.44 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 70703102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).