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

C11H15N3O6S — CID 63123851

IUPAC1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)2-4-14(5-3-11)21(19,20)7-6-12-10(18)13-8(7)15/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyRSYNGIHHCJNTHT-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.06
Rot. Bonds3

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

1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123851) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123851
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)2-4-14(5-3-11)21(19,20)7-6-12-10(18)13-8(7)15/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyRSYNGIHHCJNTHT-UHFFFAOYSA-N
XLogP-1.06
TPSA140.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid (CID 63123851) is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is RSYNGIHHCJNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-11(9(16)17)2-4-14(5-3-11)21(19,20)7-6-12-10(18)13-8(7)15/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -1.06, 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]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).