1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide

C9H15N3O5S — CID 116500604

IUPAC1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O5S/c1-6(3-4-17-2)12-5-7(18(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyRPPGQDDMDFRADT-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.22
Rot. Bonds5

About 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide

1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 116500604) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID116500604
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O5S/c1-6(3-4-17-2)12-5-7(18(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14)
InChIKeyRPPGQDDMDFRADT-UHFFFAOYSA-N
XLogP-1.22
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide (CID 116500604) is 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide is COCCC(C)n1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is RPPGQDDMDFRADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-6(3-4-17-2)12-5-7(18(10,15)16)8(13)11-9(12)14/h5-6H,3-4H2,1-2H3,(H2,10,15,16)(H,11,13,14).
What are the key properties of 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 277.30 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 116500604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).