2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine

C14H19N5O2S — CID 95824743

IUPAC2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCC(Cc3ncccn3)CC2)c1
InChIInChI=1S/C14H19N5O2S/c1-18-10-14(17-11-18)22(20,21)19-7-3-12(4-8-19)9-13-15-5-2-6-16-13/h2,5-6,10-12H,3-4,7-9H2,1H3
InChIKeyTWYHRSPLZRTPLO-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.85
Rot. Bonds4

About 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine

2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine (PubChem CID 95824743) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine
PubChem CID95824743
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCC(Cc3ncccn3)CC2)c1
InChIInChI=1S/C14H19N5O2S/c1-18-10-14(17-11-18)22(20,21)19-7-3-12(4-8-19)9-13-15-5-2-6-16-13/h2,5-6,10-12H,3-4,7-9H2,1H3
InChIKeyTWYHRSPLZRTPLO-UHFFFAOYSA-N
XLogP0.85
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine 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 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine?
The IUPAC name of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine (CID 95824743) is 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine is Cn1cnc(S(=O)(=O)N2CCC(Cc3ncccn3)CC2)c1.
What is the InChIKey of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine?
The InChIKey is TWYHRSPLZRTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-10-14(17-11-18)22(20,21)19-7-3-12(4-8-19)9-13-15-5-2-6-16-13/h2,5-6,10-12H,3-4,7-9H2,1H3.
What are the key properties of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine?
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidine is sourced from PubChem (CID 95824743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).