2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H20N4O5S — CID 24511101

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O5S/c1-8(2)13-10(17)7-15(4)22(20,21)9-6-14(3)12(19)16(5)11(9)18/h6,8H,7H2,1-5H3,(H,13,17)
InChIKeyOMBGLEMRFVJIGK-UHFFFAOYSA-N
MW332.38 g/mol
LogP-1.77
Rot. Bonds5

About 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 24511101) has the molecular formula C12H20N4O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID24511101
Molecular FormulaC12H20N4O5S
Molecular Weight332.38 g/mol
Exact Mass332.12
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O5S/c1-8(2)13-10(17)7-15(4)22(20,21)9-6-14(3)12(19)16(5)11(9)18/h6,8H,7H2,1-5H3,(H,13,17)
InChIKeyOMBGLEMRFVJIGK-UHFFFAOYSA-N
XLogP-1.77
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 5-1.77
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-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 24511101) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)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-methylamino]-N-propan-2-ylacetamide?
The InChIKey is OMBGLEMRFVJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5S/c1-8(2)13-10(17)7-15(4)22(20,21)9-6-14(3)12(19)16(5)11(9)18/h6,8H,7H2,1-5H3,(H,13,17).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 332.38 g/mol, XLogP of -1.77, 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-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 24511101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).