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

C8H14N4O3S — CID 136757566

IUPACN-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O3S/c1-2-12-16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyGBNOIVNMGHRISX-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.88
Rot. Bonds6

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

N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757566) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757566
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O3S/c1-2-12-16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyGBNOIVNMGHRISX-UHFFFAOYSA-N
XLogP-0.88
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757566) is N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is GBNOIVNMGHRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-2-12-16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).