N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C7H12N4O3S — CID 136757541

IUPACN-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-6-4-7(12)11-5-10-6/h4-5,8H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyNSWWGMHFFZETMG-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.27
Rot. Bonds5

About N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757541) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757541
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-6-4-7(12)11-5-10-6/h4-5,8H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyNSWWGMHFFZETMG-UHFFFAOYSA-N
XLogP-1.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757541) is N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CNS(=O)(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is NSWWGMHFFZETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-6-4-7(12)11-5-10-6/h4-5,8H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 232.26 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).