2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide

C7H11N3O3S — CID 137403126

IUPAC2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)n1cc(S(N)(=O)=O)cnc1=O
InChIInChI=1S/C7H11N3O3S/c1-5(2)10-4-6(14(8,12)13)3-9-7(10)11/h3-5H,1-2H3,(H2,8,12,13)
InChIKeyLLWGPPQRSGKHRL-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.53
Rot. Bonds2

About 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide

2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 137403126) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID137403126
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)n1cc(S(N)(=O)=O)cnc1=O
InChIInChI=1S/C7H11N3O3S/c1-5(2)10-4-6(14(8,12)13)3-9-7(10)11/h3-5H,1-2H3,(H2,8,12,13)
InChIKeyLLWGPPQRSGKHRL-UHFFFAOYSA-N
XLogP-0.53
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide (CID 137403126) is 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide is CC(C)n1cc(S(N)(=O)=O)cnc1=O.
What is the InChIKey of 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is LLWGPPQRSGKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5(2)10-4-6(14(8,12)13)3-9-7(10)11/h3-5H,1-2H3,(H2,8,12,13).
What are the key properties of 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide?
2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 137403126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).