2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine

C11H16ClN3O3S — CID 54990343

IUPAC2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(Cl)nc2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-2-18-9-4-3-5-15(8-9)19(16,17)10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3
InChIKeyNHAGXQYZPPBSAJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.32
Rot. Bonds4

About 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine

2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine (PubChem CID 54990343) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine
PubChem CID54990343
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine
SMILESCCOC1CCCN(S(=O)(=O)c2cnc(Cl)nc2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-2-18-9-4-3-5-15(8-9)19(16,17)10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3
InChIKeyNHAGXQYZPPBSAJ-UHFFFAOYSA-N
XLogP1.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine?
The IUPAC name of 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine (CID 54990343) is 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine is CCOC1CCCN(S(=O)(=O)c2cnc(Cl)nc2)C1.
What is the InChIKey of 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine?
The InChIKey is NHAGXQYZPPBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-2-18-9-4-3-5-15(8-9)19(16,17)10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine?
2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine has a molecular weight of 305.79 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyrimidine is sourced from PubChem (CID 54990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).