[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone

C17H26N2O2S — CID 131691635

IUPAC[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC3(CC2)CC(N(C)C)CCO3)c1
InChIInChI=1S/C17H26N2O2S/c1-13-10-15(22-12-13)16(20)19-7-5-17(6-8-19)11-14(18(2)3)4-9-21-17/h10,12,14H,4-9,11H2,1-3H3
InChIKeyGOYXJSMGGPADPU-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.77
Rot. Bonds2

About [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone

[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 131691635) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID131691635
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC3(CC2)CC(N(C)C)CCO3)c1
InChIInChI=1S/C17H26N2O2S/c1-13-10-15(22-12-13)16(20)19-7-5-17(6-8-19)11-14(18(2)3)4-9-21-17/h10,12,14H,4-9,11H2,1-3H3
InChIKeyGOYXJSMGGPADPU-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 110124950
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 131691645
2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131696926
9-(4-methylthiophene-2-carbonyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131696947
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 126889193
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110114466
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 131651452
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone (CID 131691635) is [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC3(CC2)CC(N(C)C)CCO3)c1.
What is the InChIKey of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is GOYXJSMGGPADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-10-15(22-12-13)16(20)19-7-5-17(6-8-19)11-14(18(2)3)4-9-21-17/h10,12,14H,4-9,11H2,1-3H3.
What are the key properties of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone?
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 322.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 131691635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).