2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide

C7H11N3O5S — CID 106338307

IUPAC2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O5S/c1-8-16(14,15)3-2-10-6(12)4-5(11)9-7(10)13/h4,8,12H,2-3H2,1H3,(H,9,11,13)
InChIKeyNRRMYLWNVLVRPT-UHFFFAOYSA-N
MW249.25 g/mol
LogP-2.21
Rot. Bonds4

About 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide

2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide (PubChem CID 106338307) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide
PubChem CID106338307
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O5S/c1-8-16(14,15)3-2-10-6(12)4-5(11)9-7(10)13/h4,8,12H,2-3H2,1H3,(H,9,11,13)
InChIKeyNRRMYLWNVLVRPT-UHFFFAOYSA-N
XLogP-2.21
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide?
The IUPAC name of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide (CID 106338307) is 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide?
The canonical SMILES for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide is CNS(=O)(=O)CCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide?
The InChIKey is NRRMYLWNVLVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c1-8-16(14,15)3-2-10-6(12)4-5(11)9-7(10)13/h4,8,12H,2-3H2,1H3,(H,9,11,13).
What are the key properties of 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide?
2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of -2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 106338307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).