8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

C19H30N2O2S — CID 118662081

IUPAC8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)CN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C19H30N2O2S/c1-15(23-4)13-21-14-18(12-17(21)22)7-9-19(10-8-18,20(2)3)16-6-5-11-24-16/h5-6,11,15H,7-10,12-14H2,1-4H3
InChIKeyCDNBCUYCLWTLAH-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.33
Rot. Bonds5

About 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 118662081) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID118662081
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)CN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C19H30N2O2S/c1-15(23-4)13-21-14-18(12-17(21)22)7-9-19(10-8-18,20(2)3)16-6-5-11-24-16/h5-6,11,15H,7-10,12-14H2,1-4H3
InChIKeyCDNBCUYCLWTLAH-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662018
4-[8-(dimethylamino)-3-oxo-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylbutanenitrile
CID 118662035
1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
CID 118661928
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662352
8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118666594
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone
CID 118666329
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
CID 118662425
N,N-dimethyl-4-(methylaminomethyl)-1-thiophen-2-ylcyclohexan-1-amine
CID 146416601
4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
CID 138514846
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662299
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662064

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (CID 118662081) is 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is COC(C)CN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is CDNBCUYCLWTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-15(23-4)13-21-14-18(12-17(21)22)7-9-19(10-8-18,20(2)3)16-6-5-11-24-16/h5-6,11,15H,7-10,12-14H2,1-4H3.
What are the key properties of 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 350.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).