1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide

C8H13N3O4S — CID 81340538

IUPAC1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4S/c1-5(2)3-11-4-6(16(9,14)15)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H2,9,14,15)(H,10,12,13)
InChIKeyHYFWYEYDSBSZMN-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.16
Rot. Bonds3

About 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide

1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 81340538) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID81340538
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4S/c1-5(2)3-11-4-6(16(9,14)15)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H2,9,14,15)(H,10,12,13)
InChIKeyHYFWYEYDSBSZMN-UHFFFAOYSA-N
XLogP-1.16
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 81340538) is 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide is CC(C)Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is HYFWYEYDSBSZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5(2)3-11-4-6(16(9,14)15)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H2,9,14,15)(H,10,12,13).
What are the key properties of 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 81340538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).