2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H23FN2O3S — CID 131688516

IUPAC2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(C(=O)C2(F)CC2)CC12CCOCC2
InChIInChI=1S/C18H23FN2O3S/c19-18(3-4-18)16(23)21-11-14(17(12-21)5-7-24-8-6-17)15(22)20-10-13-2-1-9-25-13/h1-2,9,14H,3-8,10-12H2,(H,20,22)
InChIKeyPZAYMCXTFAKGHE-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds4

About 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 131688516) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID131688516
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(C(=O)C2(F)CC2)CC12CCOCC2
InChIInChI=1S/C18H23FN2O3S/c19-18(3-4-18)16(23)21-11-14(17(12-21)5-7-24-8-6-17)15(22)20-10-13-2-1-9-25-13/h1-2,9,14H,3-8,10-12H2,(H,20,22)
InChIKeyPZAYMCXTFAKGHE-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 131688516) is 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccs1)C1CN(C(=O)C2(F)CC2)CC12CCOCC2.
What is the InChIKey of 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PZAYMCXTFAKGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c19-18(3-4-18)16(23)21-11-14(17(12-21)5-7-24-8-6-17)15(22)20-10-13-2-1-9-25-13/h1-2,9,14H,3-8,10-12H2,(H,20,22).
What are the key properties of 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 131688516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).