4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

C14H17NO4S — CID 24715383

IUPAC4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCCCC2)N1C(=O)c1cccs1
InChIInChI=1S/C14H17NO4S/c16-12(11-5-4-8-20-11)15-10(13(17)18)9-19-14(15)6-2-1-3-7-14/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyPTWRDEGOIZXKJB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.33
Rot. Bonds2

About 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 24715383) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID24715383
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCCCC2)N1C(=O)c1cccs1
InChIInChI=1S/C14H17NO4S/c16-12(11-5-4-8-20-11)15-10(13(17)18)9-19-14(15)6-2-1-3-7-14/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyPTWRDEGOIZXKJB-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CID 24715383) is 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1COC2(CCCCC2)N1C(=O)c1cccs1.
What is the InChIKey of 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is PTWRDEGOIZXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-12(11-5-4-8-20-11)15-10(13(17)18)9-19-14(15)6-2-1-3-7-14/h4-5,8,10H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 24715383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).