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

C6H10N4O3S — CID 136956108

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C6H10N4O3S/c7-14(12,13)2-1-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,7,12,13)(H2,8,9,10,11)
InChIKeyDVPPMZUQKQOUFC-UHFFFAOYSA-N
MW218.24 g/mol
LogP-1.53
Rot. Bonds4

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

2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136956108) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136956108
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C6H10N4O3S/c7-14(12,13)2-1-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,7,12,13)(H2,8,9,10,11)
InChIKeyDVPPMZUQKQOUFC-UHFFFAOYSA-N
XLogP-1.53
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136956108) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is DVPPMZUQKQOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c7-14(12,13)2-1-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,7,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 218.24 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136956108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).