8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

C22H34N2O2S — CID 118662342

IUPAC8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1
InChIInChI=1S/C22H34N2O2S/c1-23(2)22(18-6-4-15-27-18)11-9-20(10-12-22)16-19(25)24(17-20)14-13-21(26-3)7-5-8-21/h4,6,15H,5,7-14,16-17H2,1-3H3
InChIKeyBOHJKGADBUZLAU-UHFFFAOYSA-N
MW390.59 g/mol
LogP4.26
Rot. Bonds6

About 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 118662342) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID118662342
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC Name8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1
InChIInChI=1S/C22H34N2O2S/c1-23(2)22(18-6-4-15-27-18)11-9-20(10-12-22)16-19(25)24(17-20)14-13-21(26-3)7-5-8-21/h4,6,15H,5,7-14,16-17H2,1-3H3
InChIKeyBOHJKGADBUZLAU-UHFFFAOYSA-N
XLogP4.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (CID 118662342) is 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1.
What is the InChIKey of 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is BOHJKGADBUZLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-23(2)22(18-6-4-15-27-18)11-9-20(10-12-22)16-19(25)24(17-20)14-13-21(26-3)7-5-8-21/h4,6,15H,5,7-14,16-17H2,1-3H3.
What are the key properties of 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 390.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).