N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide

C11H15N5O2S — CID 90588980

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C11H15N5O2S/c1-2-19(17,18)15-7-9-16-8-6-14-11(16)10-12-4-3-5-13-10/h3-6,8,15H,2,7,9H2,1H3
InChIKeyLQHYMDQVELKJOV-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.28
Rot. Bonds6

About N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 90588980) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide
PubChem CID90588980
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C11H15N5O2S/c1-2-19(17,18)15-7-9-16-8-6-14-11(16)10-12-4-3-5-13-10/h3-6,8,15H,2,7,9H2,1H3
InChIKeyLQHYMDQVELKJOV-UHFFFAOYSA-N
XLogP0.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide (CID 90588980) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is LQHYMDQVELKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-19(17,18)15-7-9-16-8-6-14-11(16)10-12-4-3-5-13-10/h3-6,8,15H,2,7,9H2,1H3.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 90588980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).