N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide

C11H18N4O2S — CID 122298530

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)14-10-8-12-11(13-9-10)15-6-4-3-5-7-15/h8-9,14H,2-7H2,1H3
InChIKeyBQQPMRVMPLBJFP-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.23
Rot. Bonds4

About N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide

N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide (PubChem CID 122298530) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
PubChem CID122298530
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)14-10-8-12-11(13-9-10)15-6-4-3-5-7-15/h8-9,14H,2-7H2,1H3
InChIKeyBQQPMRVMPLBJFP-UHFFFAOYSA-N
XLogP1.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide (CID 122298530) is N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide?
The InChIKey is BQQPMRVMPLBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-18(16,17)14-10-8-12-11(13-9-10)15-6-4-3-5-7-15/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide has a molecular weight of 270.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide is sourced from PubChem (CID 122298530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).