N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

C11H21ClN4O5S — CID 120717981

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C11H20N4O5S.ClH/c1-14-8-9(10(16)15(2)11(14)17)21(18,19)13-5-4-12-6-7-20-3;/h8,12-13H,4-7H2,1-3H3;1H
InChIKeyVWKTZTTXPMWIGS-UHFFFAOYSA-N
MW356.83 g/mol
LogP-1.98
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (PubChem CID 120717981) has the molecular formula C11H21ClN4O5S and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
PubChem CID120717981
Molecular FormulaC11H21ClN4O5S
Molecular Weight356.83 g/mol
Exact Mass356.09
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C11H20N4O5S.ClH/c1-14-8-9(10(16)15(2)11(14)17)21(18,19)13-5-4-12-6-7-20-3;/h8,12-13H,4-7H2,1-3H3;1H
InChIKeyVWKTZTTXPMWIGS-UHFFFAOYSA-N
XLogP-1.98
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120717558
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (CID 120717981) is N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is VWKTZTTXPMWIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5S.ClH/c1-14-8-9(10(16)15(2)11(14)17)21(18,19)13-5-4-12-6-7-20-3;/h8,12-13H,4-7H2,1-3H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 356.83 g/mol, XLogP of -1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).