N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C11H19N3O5S — CID 107319460

IUPACN-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N3O5S/c1-13-8-9(10(16)14(2)11(13)17)20(18,19)12-6-4-3-5-7-15/h8,12,15H,3-7H2,1-2H3
InChIKeyZCZARNYAQFREKX-UHFFFAOYSA-N
MW305.36 g/mol
LogP-1.48
Rot. Bonds7

About N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 107319460) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID107319460
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC NameN-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N3O5S/c1-13-8-9(10(16)14(2)11(13)17)20(18,19)12-6-4-3-5-7-15/h8,12,15H,3-7H2,1-2H3
InChIKeyZCZARNYAQFREKX-UHFFFAOYSA-N
XLogP-1.48
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-azidopropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61343812
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55698162
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 107319460) is N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCCCCCO)c(=O)n(C)c1=O.
What is the InChIKey of N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZCZARNYAQFREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-13-8-9(10(16)14(2)11(13)17)20(18,19)12-6-4-3-5-7-15/h8,12,15H,3-7H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of -1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 107319460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).