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

C16H24N2O2S — CID 131657633

IUPACN,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3cccs3)CC2)O1
InChIInChI=1S/C16H24N2O2S/c1-17(2)15(19)14-5-6-16(20-14)7-9-18(10-8-16)12-13-4-3-11-21-13/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyUAUXTIXIFPNDSU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.35
Rot. Bonds3

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

N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 131657633) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID131657633
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3cccs3)CC2)O1
InChIInChI=1S/C16H24N2O2S/c1-17(2)15(19)14-5-6-16(20-14)7-9-18(10-8-16)12-13-4-3-11-21-13/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyUAUXTIXIFPNDSU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
(2S)-N,N-dimethyl-8-[(5-methylfuran-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383763
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131651871
N,N-dimethyl-2-[[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663033
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131658697
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 131657633) is N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)C1CCC2(CCN(Cc3cccs3)CC2)O1.
What is the InChIKey of N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is UAUXTIXIFPNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17(2)15(19)14-5-6-16(20-14)7-9-18(10-8-16)12-13-4-3-11-21-13/h3-4,11,14H,5-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131657633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).