N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide

C11H20N4O2S — CID 50970084

IUPACN-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCc1cnc(C)nc1NCCS(=O)(=O)NC
InChIInChI=1S/C11H20N4O2S/c1-4-5-10-8-14-9(2)15-11(10)13-6-7-18(16,17)12-3/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyLYVDDMGHKZRTQT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.70
Rot. Bonds7

About N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide

N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 50970084) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID50970084
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCc1cnc(C)nc1NCCS(=O)(=O)NC
InChIInChI=1S/C11H20N4O2S/c1-4-5-10-8-14-9(2)15-11(10)13-6-7-18(16,17)12-3/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyLYVDDMGHKZRTQT-UHFFFAOYSA-N
XLogP0.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide (CID 50970084) is N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide is CCCc1cnc(C)nc1NCCS(=O)(=O)NC.
What is the InChIKey of N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is LYVDDMGHKZRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-5-10-8-14-9(2)15-11(10)13-6-7-18(16,17)12-3/h8,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 50970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).