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

C10H17N3O4S — CID 83162381

IUPAC1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)CCCn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O4S/c1-7(2)4-3-5-13-6-8(18(11,16)17)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,16,17)(H,12,14,15)
InChIKeyQLGQSPNCHOFTSS-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.38
Rot. Bonds5

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

1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 83162381) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID83162381
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)CCCn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O4S/c1-7(2)4-3-5-13-6-8(18(11,16)17)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,16,17)(H,12,14,15)
InChIKeyQLGQSPNCHOFTSS-UHFFFAOYSA-N
XLogP-0.38
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 83162381) is 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide is CC(C)CCCn1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QLGQSPNCHOFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(2)4-3-5-13-6-8(18(11,16)17)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,16,17)(H,12,14,15).
What are the key properties of 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 83162381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).