N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C8H13IN4O3S — CID 136757563

IUPACN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H13IN4O3S/c1-2-13-17(15,16)4-3-10-7-6(9)8(14)12-5-11-7/h5,13H,2-4H2,1H3,(H2,10,11,12,14)
InChIKeyVCFXGKAMSCSLSQ-UHFFFAOYSA-N
MW372.19 g/mol
LogP-0.27
Rot. Bonds6

About N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757563) has the molecular formula C8H13IN4O3S and a molecular weight of 372.19 g/mol. Its IUPAC name is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757563
Molecular FormulaC8H13IN4O3S
Molecular Weight372.19 g/mol
Exact Mass371.98
IUPAC NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H13IN4O3S/c1-2-13-17(15,16)4-3-10-7-6(9)8(14)12-5-11-7/h5,13H,2-4H2,1H3,(H2,10,11,12,14)
InChIKeyVCFXGKAMSCSLSQ-UHFFFAOYSA-N
XLogP-0.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757563) is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is VCFXGKAMSCSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4O3S/c1-2-13-17(15,16)4-3-10-7-6(9)8(14)12-5-11-7/h5,13H,2-4H2,1H3,(H2,10,11,12,14).
What are the key properties of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 372.19 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).