(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate

C15H17N3O6S — CID 46687610

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCn1c(COC(=O)c2ccccc2NS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O6S/c1-17-10(8-13(19)18(2)15(17)21)9-24-14(20)11-6-4-5-7-12(11)16-25(3,22)23/h4-8,16H,9H2,1-3H3
InChIKeyZPCOOSKUBKFKKT-UHFFFAOYSA-N
MW367.38 g/mol
LogP-0.19
Rot. Bonds5

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate (PubChem CID 46687610) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate
PubChem CID46687610
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCn1c(COC(=O)c2ccccc2NS(C)(=O)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O6S/c1-17-10(8-13(19)18(2)15(17)21)9-24-14(20)11-6-4-5-7-12(11)16-25(3,22)23/h4-8,16H,9H2,1-3H3
InChIKeyZPCOOSKUBKFKKT-UHFFFAOYSA-N
XLogP-0.19
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 24577053
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]benzoate
CID 46675238
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(N-methylanilino)benzoate
CID 166192356
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
CID 27910928
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-amino-4-fluorobenzoate
CID 46687411
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530372
(7-ethyl-2-oxochromen-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 7740586
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371
2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530361
2-(3-bromophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530365

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate (CID 46687610) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate is Cn1c(COC(=O)c2ccccc2NS(C)(=O)=O)cc(=O)n(C)c1=O.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate?
The InChIKey is ZPCOOSKUBKFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-17-10(8-13(19)18(2)15(17)21)9-24-14(20)11-6-4-5-7-12(11)16-25(3,22)23/h4-8,16H,9H2,1-3H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate has a molecular weight of 367.38 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 46687610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).