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

C14H20N2O2S — CID 118743519

IUPACN-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CNCC12CCOCC2
InChIInChI=1S/C14H20N2O2S/c17-13(16-8-11-2-1-7-19-11)12-9-15-10-14(12)3-5-18-6-4-14/h1-2,7,12,15H,3-6,8-10H2,(H,16,17)
InChIKeyLBVGQZRBHVRZIO-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.38
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118743519) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118743519
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CNCC12CCOCC2
InChIInChI=1S/C14H20N2O2S/c17-13(16-8-11-2-1-7-19-11)12-9-15-10-14(12)3-5-18-6-4-14/h1-2,7,12,15H,3-6,8-10H2,(H,16,17)
InChIKeyLBVGQZRBHVRZIO-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118743519) is N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccs1)C1CNCC12CCOCC2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LBVGQZRBHVRZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(16-8-11-2-1-7-19-11)12-9-15-10-14(12)3-5-18-6-4-14/h1-2,7,12,15H,3-6,8-10H2,(H,16,17).
What are the key properties of N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118743519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).