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

C10H13N3O6S — CID 66263542

IUPAC(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O6S/c14-8-7(5-11-10(17)12-8)20(18,19)13-4-2-1-3-6(13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17)/t6-/m0/s1
InChIKeyITBJKUXCTMMNLN-LURJTMIESA-N
MW303.30 g/mol
LogP-1.31
Rot. Bonds3

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

(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid (PubChem CID 66263542) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid
PubChem CID66263542
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O6S/c14-8-7(5-11-10(17)12-8)20(18,19)13-4-2-1-3-6(13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17)/t6-/m0/s1
InChIKeyITBJKUXCTMMNLN-LURJTMIESA-N
XLogP-1.31
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 ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid (CID 66263542) is (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The InChIKey is ITBJKUXCTMMNLN-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O6S/c14-8-7(5-11-10(17)12-8)20(18,19)13-4-2-1-3-6(13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17)/t6-/m0/s1.
What are the key properties of (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid?
(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66263542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).