N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide

C8H13N3O5S — CID 106338298

IUPACN-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-17(15,16)9-3-2-4-11-7(13)5-6(12)10-8(11)14/h5,9,13H,2-4H2,1H3,(H,10,12,14)
InChIKeyNMBGFNDJBHUBLS-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.82
Rot. Bonds5

About N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide

N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide (PubChem CID 106338298) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
PubChem CID106338298
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC NameN-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-17(15,16)9-3-2-4-11-7(13)5-6(12)10-8(11)14/h5,9,13H,2-4H2,1H3,(H,10,12,14)
InChIKeyNMBGFNDJBHUBLS-UHFFFAOYSA-N
XLogP-1.82
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide
CID 106338321
N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
CID 112599410
1,3-dimethyl-6-(2-methanesulfonyloxyethylamino)-2,4(1H,3H)-pyrimidinedione
CID 19045207
2-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonic acid
CID 53706161
3-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)propane-1-sulfonic acid
CID 54332012
4-Amino-3-(2-methylpropyl)-6-oxo-1,2-dihydropyrimidine-2-sulfonic acid
CID 149846576
1-(2-Ethylsulfonylethyl)-6-hydroxypyrimidine-2,4-dione
CID 105788026
2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide
CID 106338307
N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
CID 112599413
2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
CID 114175413
6-Hydroxy-1-(2-methylsulfinylpropyl)pyrimidine-2,4-dione
CID 116183737

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide (CID 106338298) is N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide?
The InChIKey is NMBGFNDJBHUBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-17(15,16)9-3-2-4-11-7(13)5-6(12)10-8(11)14/h5,9,13H,2-4H2,1H3,(H,10,12,14).
What are the key properties of N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide?
N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide has a molecular weight of 263.27 g/mol, XLogP of -1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).