N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C9H15N3O5S — CID 19059821

IUPACN-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O5S/c1-6-7(8(13)12-9(14)11-6)18(15,16)10-4-3-5-17-2/h10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeySFVYYNLYEURBBA-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.31
Rot. Bonds6

About N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 19059821) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID19059821
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC NameN-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O5S/c1-6-7(8(13)12-9(14)11-6)18(15,16)10-4-3-5-17-2/h10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeySFVYYNLYEURBBA-UHFFFAOYSA-N
XLogP-1.31
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2-amino-N-(4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103171397
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 55230128
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 19059821) is N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COCCCNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is SFVYYNLYEURBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-6-7(8(13)12-9(14)11-6)18(15,16)10-4-3-5-17-2/h10H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 277.30 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 19059821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).