N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide

C8H13N3O2S — CID 123436303

IUPACN-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide
SMILESCCc1cnc(N(C)S(C)(=O)=O)nc1
InChIInChI=1S/C8H13N3O2S/c1-4-7-5-9-8(10-6-7)11(2)14(3,12)13/h5-6H,4H2,1-3H3
InChIKeyYYKYSJDCEGCLRB-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.43
Rot. Bonds3

About N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide

N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide (PubChem CID 123436303) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide
PubChem CID123436303
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide
SMILESCCc1cnc(N(C)S(C)(=O)=O)nc1
InChIInChI=1S/C8H13N3O2S/c1-4-7-5-9-8(10-6-7)11(2)14(3,12)13/h5-6H,4H2,1-3H3
InChIKeyYYKYSJDCEGCLRB-UHFFFAOYSA-N
XLogP0.43
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide (CID 123436303) is N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide is CCc1cnc(N(C)S(C)(=O)=O)nc1.
What is the InChIKey of N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide?
The InChIKey is YYKYSJDCEGCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-7-5-9-8(10-6-7)11(2)14(3,12)13/h5-6H,4H2,1-3H3.
What are the key properties of N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide?
N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylpyrimidin-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 123436303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).