N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide

C9H13N3O3S — CID 69178264

IUPACN-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide
SMILESCCN(C(=O)CS(C)(=O)=O)c1cncnc1
InChIInChI=1S/C9H13N3O3S/c1-3-12(8-4-10-7-11-5-8)9(13)6-16(2,14)15/h4-5,7H,3,6H2,1-2H3
InChIKeyXNIXYTVIFHYRGG-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.13
Rot. Bonds4

About N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide

N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide (PubChem CID 69178264) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide
PubChem CID69178264
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide
SMILESCCN(C(=O)CS(C)(=O)=O)c1cncnc1
InChIInChI=1S/C9H13N3O3S/c1-3-12(8-4-10-7-11-5-8)9(13)6-16(2,14)15/h4-5,7H,3,6H2,1-2H3
InChIKeyXNIXYTVIFHYRGG-UHFFFAOYSA-N
XLogP-0.13
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide?
The IUPAC name of N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide (CID 69178264) is N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide?
The canonical SMILES for N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide is CCN(C(=O)CS(C)(=O)=O)c1cncnc1.
What is the InChIKey of N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide?
The InChIKey is XNIXYTVIFHYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-12(8-4-10-7-11-5-8)9(13)6-16(2,14)15/h4-5,7H,3,6H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide?
N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide has a molecular weight of 243.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 69178264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).