N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C11H15N3O5S — CID 71896773

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC2CCS(=O)(=O)C2)c1=O
InChIInChI=1S/C11H15N3O5S/c1-13-10(16)2-4-14(11(13)17)6-9(15)12-8-3-5-20(18,19)7-8/h2,4,8H,3,5-7H2,1H3,(H,12,15)
InChIKeyVSZQGIIYFOBJQV-UHFFFAOYSA-N
MW301.32 g/mol
LogP-2.15
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 71896773) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID71896773
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC2CCS(=O)(=O)C2)c1=O
InChIInChI=1S/C11H15N3O5S/c1-13-10(16)2-4-14(11(13)17)6-9(15)12-8-3-5-20(18,19)7-8/h2,4,8H,3,5-7H2,1H3,(H,12,15)
InChIKeyVSZQGIIYFOBJQV-UHFFFAOYSA-N
XLogP-2.15
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29140198
2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29135199
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
1-[2-[(1,1-dioxothian-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324704
N-(1,1-dioxothiolan-3-yl)-2-pyrazol-1-ylacetamide
CID 110689965
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 95153079
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 71896773) is N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)NC2CCS(=O)(=O)C2)c1=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is VSZQGIIYFOBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-13-10(16)2-4-14(11(13)17)6-9(15)12-8-3-5-20(18,19)7-8/h2,4,8H,3,5-7H2,1H3,(H,12,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 301.32 g/mol, XLogP of -2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 71896773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).