2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine

C10H14ClN3O3S — CID 43456555

IUPAC2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine
SMILESCOC1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C10H14ClN3O3S/c1-17-8-2-4-14(5-3-8)18(15,16)9-6-12-10(11)13-7-9/h6-8H,2-5H2,1H3
InChIKeyVNOFGYLZVJMJKH-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.93
Rot. Bonds3

About 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine

2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine (PubChem CID 43456555) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine
PubChem CID43456555
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine
SMILESCOC1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C10H14ClN3O3S/c1-17-8-2-4-14(5-3-8)18(15,16)9-6-12-10(11)13-7-9/h6-8H,2-5H2,1H3
InChIKeyVNOFGYLZVJMJKH-UHFFFAOYSA-N
XLogP0.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine 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-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine?
The IUPAC name of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine (CID 43456555) is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine is COC1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine?
The InChIKey is VNOFGYLZVJMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-17-8-2-4-14(5-3-8)18(15,16)9-6-12-10(11)13-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine?
2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine has a molecular weight of 291.76 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonylpyrimidine is sourced from PubChem (CID 43456555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).