cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone

C20H30N2OS — CID 118662179

IUPACcyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C4CC4)C3)CC2)s1
InChIInChI=1S/C20H30N2OS/c1-15-4-7-17(24-15)20(21(2)3)10-8-19(9-11-20)12-13-22(14-19)18(23)16-5-6-16/h4,7,16H,5-6,8-14H2,1-3H3
InChIKeyWJLQQAALKBPWKR-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.02
Rot. Bonds3

About cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone

cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 118662179) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID118662179
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Namecyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C4CC4)C3)CC2)s1
InChIInChI=1S/C20H30N2OS/c1-15-4-7-17(24-15)20(21(2)3)10-8-19(9-11-20)12-13-22(14-19)18(23)16-5-6-16/h4,7,16H,5-6,8-14H2,1-3H3
InChIKeyWJLQQAALKBPWKR-UHFFFAOYSA-N
XLogP4.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
CID 118666639
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662064
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662447
1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one
CID 118662472
2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662352
N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine
CID 118662105
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
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
ethyl 3-oxo-3-[4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propanoate
CID 59047326
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone (CID 118662179) is cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C4CC4)C3)CC2)s1.
What is the InChIKey of cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is WJLQQAALKBPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-15-4-7-17(24-15)20(21(2)3)10-8-19(9-11-20)12-13-22(14-19)18(23)16-5-6-16/h4,7,16H,5-6,8-14H2,1-3H3.
What are the key properties of cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 346.54 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 118662179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).