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

C11H15N3O6S — CID 104595586

IUPAC1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-5-14(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)
InChIKeyALZINMKQGLEKIE-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.92
Rot. Bonds3

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

1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595586) 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]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104595586
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-5-14(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)
InChIKeyALZINMKQGLEKIE-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595678
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595612
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075015
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595604
5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 66242542
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
CID 104595659
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595640
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494
5-[(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 72853191
5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 7253846
2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 104595583

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid (CID 104595586) is 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is ALZINMKQGLEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-5-14(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]-2-methylpiperidine-2-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -0.92, 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]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).