N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C11H14N4O3S — CID 74239478

IUPACN-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C11H14N4O3S/c1-2-19(17,18)7-5-12-10(16)9-8-15-6-3-4-13-11(15)14-9/h3-4,6,8H,2,5,7H2,1H3,(H,12,16)
InChIKeyDYSUAYLGLGVGDB-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 74239478) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID74239478
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C11H14N4O3S/c1-2-19(17,18)7-5-12-10(16)9-8-15-6-3-4-13-11(15)14-9/h3-4,6,8H,2,5,7H2,1H3,(H,12,16)
InChIKeyDYSUAYLGLGVGDB-UHFFFAOYSA-N
XLogP-0.11
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 74239478) is N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is CCS(=O)(=O)CCNC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DYSUAYLGLGVGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-2-19(17,18)7-5-12-10(16)9-8-15-6-3-4-13-11(15)14-9/h3-4,6,8H,2,5,7H2,1H3,(H,12,16).
What are the key properties of N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 74239478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).