N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C16H24N2O2S — CID 131651871

IUPACN,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CC2(CCCN(Cc3cccs3)C2)CO1
InChIInChI=1S/C16H24N2O2S/c1-17(2)15(19)14-9-16(12-20-14)6-4-7-18(11-16)10-13-5-3-8-21-13/h3,5,8,14H,4,6-7,9-12H2,1-2H3
InChIKeyOZCJGGOLIJLVBT-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.21
Rot. Bonds3

About N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 131651871) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID131651871
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CC2(CCCN(Cc3cccs3)C2)CO1
InChIInChI=1S/C16H24N2O2S/c1-17(2)15(19)14-9-16(12-20-14)6-4-7-18(11-16)10-13-5-3-8-21-13/h3,5,8,14H,4,6-7,9-12H2,1-2H3
InChIKeyOZCJGGOLIJLVBT-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 131651871) is N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is CN(C)C(=O)C1CC2(CCCN(Cc3cccs3)C2)CO1.
What is the InChIKey of N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is OZCJGGOLIJLVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17(2)15(19)14-9-16(12-20-14)6-4-7-18(11-16)10-13-5-3-8-21-13/h3,5,8,14H,4,6-7,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 131651871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).