N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide

C8H13N3O5S — CID 112599413

IUPACN-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCc1c(O)n(CCNS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-5-6(12)10-8(14)11(7(5)13)4-3-9-17(2,15)16/h9,13H,3-4H2,1-2H3,(H,10,12,14)
InChIKeyVDHIOCNEVRWDIP-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.90
Rot. Bonds4

About N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide

N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide (PubChem CID 112599413) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
PubChem CID112599413
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC NameN-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCc1c(O)n(CCNS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-5-6(12)10-8(14)11(7(5)13)4-3-9-17(2,15)16/h9,13H,3-4H2,1-2H3,(H,10,12,14)
InChIKeyVDHIOCNEVRWDIP-UHFFFAOYSA-N
XLogP-1.90
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide (CID 112599413) is N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide is Cc1c(O)n(CCNS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is VDHIOCNEVRWDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5-6(12)10-8(14)11(7(5)13)4-3-9-17(2,15)16/h9,13H,3-4H2,1-2H3,(H,10,12,14).
What are the key properties of N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 263.27 g/mol, XLogP of -1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 112599413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).