[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone

C21H32N2O2S — CID 118661917

IUPAC[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)N2CCC3(CCC(c4cccs4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C21H32N2O2S/c1-22(2)20(17-6-4-15-26-17)11-9-19(10-12-20)13-14-23(16-19)18(24)21(25-3)7-5-8-21/h4,6,15H,5,7-14,16H2,1-3H3
InChIKeyGUCJYSYPHSIGBY-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.87
Rot. Bonds4

About [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone

[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone (PubChem CID 118661917) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone
PubChem CID118661917
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)N2CCC3(CCC(c4cccs4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C21H32N2O2S/c1-22(2)20(17-6-4-15-26-17)11-9-19(10-12-20)13-14-23(16-19)18(24)21(25-3)7-5-8-21/h4,6,15H,5,7-14,16H2,1-3H3
InChIKeyGUCJYSYPHSIGBY-UHFFFAOYSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone?
The IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone (CID 118661917) is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone?
The canonical SMILES for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone is COC1(C(=O)N2CCC3(CCC(c4cccs4)(N(C)C)CC3)C2)CCC1.
What is the InChIKey of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone?
The InChIKey is GUCJYSYPHSIGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-22(2)20(17-6-4-15-26-17)11-9-19(10-12-20)13-14-23(16-19)18(24)21(25-3)7-5-8-21/h4,6,15H,5,7-14,16H2,1-3H3.
What are the key properties of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone?
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone has a molecular weight of 376.57 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 118661917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).