(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C12H17N3O5S2 — CID 135240389

IUPAC(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ONS(=O)(=O)c1nccs1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C12H17N3O5S2/c16-11(20-14-22(17,18)10-13-5-9-21-10)15-6-3-12(4-7-15)2-1-8-19-12/h5,9,14H,1-4,6-8H2
InChIKeyGWIWAVOACAWPJG-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.12
Rot. Bonds3

About (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate

(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 135240389) has the molecular formula C12H17N3O5S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID135240389
Molecular FormulaC12H17N3O5S2
Molecular Weight347.42 g/mol
Exact Mass347.06
IUPAC Name(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ONS(=O)(=O)c1nccs1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C12H17N3O5S2/c16-11(20-14-22(17,18)10-13-5-9-21-10)15-6-3-12(4-7-15)2-1-8-19-12/h5,9,14H,1-4,6-8H2
InChIKeyGWIWAVOACAWPJG-UHFFFAOYSA-N
XLogP1.12
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

US10858373, Example 40
CID 135238380
2-Amino-2-(1,3-thiazol-2-ylsulfonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135240388
3-[Methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 151255385
(3R)-3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 153966434

Frequently Asked Questions

What is the IUPAC name of (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 135240389) is (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate is O=C(ONS(=O)(=O)c1nccs1)N1CCC2(CCCO2)CC1.
What is the InChIKey of (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is GWIWAVOACAWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S2/c16-11(20-14-22(17,18)10-13-5-9-21-10)15-6-3-12(4-7-15)2-1-8-19-12/h5,9,14H,1-4,6-8H2.
What are the key properties of (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
(1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135240389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).