2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid

C11H16N4O4S — CID 43715625

IUPAC2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H16N4O4S/c16-10(17)8-20(18,19)14-9-3-1-6-15(7-9)11-12-4-2-5-13-11/h2,4-5,9,14H,1,3,6-8H2,(H,16,17)
InChIKeyXAGJAUXZIZCYNS-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid

2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid (PubChem CID 43715625) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
PubChem CID43715625
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H16N4O4S/c16-10(17)8-20(18,19)14-9-3-1-6-15(7-9)11-12-4-2-5-13-11/h2,4-5,9,14H,1,3,6-8H2,(H,16,17)
InChIKeyXAGJAUXZIZCYNS-UHFFFAOYSA-N
XLogP-0.55
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
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CID 64590673
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
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1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
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CID 60793288
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 61275954
2-(1-adamantyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100426
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid (CID 43715625) is 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid?
The InChIKey is XAGJAUXZIZCYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c16-10(17)8-20(18,19)14-9-3-1-6-15(7-9)11-12-4-2-5-13-11/h2,4-5,9,14H,1,3,6-8H2,(H,16,17).
What are the key properties of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid?
2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid has a molecular weight of 300.34 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 43715625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).