2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide

C11H18N4O5S — CID 16568306

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O5S/c1-7(2)15(6-9(12)16)21(19,20)8-5-13(3)11(18)14(4)10(8)17/h5,7H,6H2,1-4H3,(H2,12,16)
InChIKeyVADOHDNFRICEGY-UHFFFAOYSA-N
MW318.36 g/mol
LogP-2.03
Rot. Bonds5

About 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 16568306) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID16568306
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O5S/c1-7(2)15(6-9(12)16)21(19,20)8-5-13(3)11(18)14(4)10(8)17/h5,7H,6H2,1-4H3,(H2,12,16)
InChIKeyVADOHDNFRICEGY-UHFFFAOYSA-N
XLogP-2.03
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide (CID 16568306) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is VADOHDNFRICEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-7(2)15(6-9(12)16)21(19,20)8-5-13(3)11(18)14(4)10(8)17/h5,7H,6H2,1-4H3,(H2,12,16).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 318.36 g/mol, XLogP of -2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 16568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).