1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid

C10H13N3O6S — CID 43172830

IUPAC1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H13N3O6S/c14-8-7(4-11-10(17)12-8)20(18,19)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,14,17)
InChIKeyBRVGEHYZMKSYIA-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.45
Rot. Bonds3

About 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid

1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid (PubChem CID 43172830) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
PubChem CID43172830
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H13N3O6S/c14-8-7(4-11-10(17)12-8)20(18,19)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,14,17)
InChIKeyBRVGEHYZMKSYIA-UHFFFAOYSA-N
XLogP-1.45
TPSA140.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid (CID 43172830) is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The InChIKey is BRVGEHYZMKSYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c14-8-7(4-11-10(17)12-8)20(18,19)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,14,17).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).