4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid

C10H14N4O3S — CID 91484120

IUPAC4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnsn1
InChIInChI=1S/C10H14N4O3S/c15-9(8-6-12-18-13-8)11-5-7-1-3-14(4-2-7)10(16)17/h6-7H,1-5H2,(H,11,15)(H,16,17)
InChIKeyRWGAIWNJPQTJET-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.66
Rot. Bonds3

About 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid

4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 91484120) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID91484120
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnsn1
InChIInChI=1S/C10H14N4O3S/c15-9(8-6-12-18-13-8)11-5-7-1-3-14(4-2-7)10(16)17/h6-7H,1-5H2,(H,11,15)(H,16,17)
InChIKeyRWGAIWNJPQTJET-UHFFFAOYSA-N
XLogP0.66
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 91484120) is 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1CCN(C(=O)O)CC1)c1cnsn1.
What is the InChIKey of 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is RWGAIWNJPQTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-9(8-6-12-18-13-8)11-5-7-1-3-14(4-2-7)10(16)17/h6-7H,1-5H2,(H,11,15)(H,16,17).
What are the key properties of 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,5-thiadiazole-3-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91484120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).