2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide

C11H15IN4O5S — CID 142924320

IUPAC2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCCCS2(=O)=O)nc(C(=O)NCI)c(O)c1=O
InChIInChI=1S/C11H15IN4O5S/c1-15-10(19)8(17)7(9(18)13-6-12)14-11(15)16-4-2-3-5-22(16,20)21/h17H,2-6H2,1H3,(H,13,18)
InChIKeyVZZAQBDAKYFGTG-UHFFFAOYSA-N
MW442.24 g/mol
LogP-0.46
Rot. Bonds3

About 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide

2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 142924320) has the molecular formula C11H15IN4O5S and a molecular weight of 442.24 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID142924320
Molecular FormulaC11H15IN4O5S
Molecular Weight442.24 g/mol
Exact Mass441.98
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCCCS2(=O)=O)nc(C(=O)NCI)c(O)c1=O
InChIInChI=1S/C11H15IN4O5S/c1-15-10(19)8(17)7(9(18)13-6-12)14-11(15)16-4-2-3-5-22(16,20)21/h17H,2-6H2,1H3,(H,13,18)
InChIKeyVZZAQBDAKYFGTG-UHFFFAOYSA-N
XLogP-0.46
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(1,1-dioxothiazinan-2-yl)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691445
N-[[2-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
CID 54751383
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide
CID 135984742
N-[[2-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
CID 54683925
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 3013404
2-[[4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxypyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 135313435
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 20816860
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142215488
4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide
CID 11180474
N-[[2-(1,1-dioxothiazinan-2-yl)-4-fluorophenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 54706922

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide (CID 142924320) is 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide is Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCI)c(O)c1=O.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is VZZAQBDAKYFGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O5S/c1-15-10(19)8(17)7(9(18)13-6-12)14-11(15)16-4-2-3-5-22(16,20)21/h17H,2-6H2,1H3,(H,13,18).
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 442.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-5-hydroxy-N-(iodomethyl)-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 142924320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).