2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid

C10H13N3O3S — CID 64812711

IUPAC2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cnsn1
InChIInChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-4-2-1-3-6(7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16)
InChIKeyMUJDNYGBRUCJCP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.91
Rot. Bonds3

About 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid

2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64812711) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID64812711
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cnsn1
InChIInChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-4-2-1-3-6(7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16)
InChIKeyMUJDNYGBRUCJCP-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 64812711) is 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1cnsn1.
What is the InChIKey of 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MUJDNYGBRUCJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-4-2-1-3-6(7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).