N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide

C8H14N4O2S — CID 56789846

IUPACN-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1ncccn1
InChIInChI=1S/C8H14N4O2S/c1-12(7-6-11-15(2,13)14)8-9-4-3-5-10-8/h3-5,11H,6-7H2,1-2H3
InChIKeyRZXKZSXRSWEJDG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.54
Rot. Bonds5

About N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 56789846) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID56789846
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1ncccn1
InChIInChI=1S/C8H14N4O2S/c1-12(7-6-11-15(2,13)14)8-9-4-3-5-10-8/h3-5,11H,6-7H2,1-2H3
InChIKeyRZXKZSXRSWEJDG-UHFFFAOYSA-N
XLogP-0.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide (CID 56789846) is N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)c1ncccn1.
What is the InChIKey of N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is RZXKZSXRSWEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12(7-6-11-15(2,13)14)8-9-4-3-5-10-8/h3-5,11H,6-7H2,1-2H3.
What are the key properties of N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(pyrimidin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 56789846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).