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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Related Compounds

(3R,5R)-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124519960
9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863049
N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131654701
N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131657633
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124521194
N,N-dimethyl-2-[[(3R,5S)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide;2,2,2-trifluoroacetic acid
CID 155828495
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 98778276
(3aR,8aR)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide
CID 97403969
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
pyrrolidin-1-yl-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743387

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).