tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate

C20H32N2O2S — CID 118662090

IUPACtert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H32N2O2S/c1-18(2,3)24-17(23)22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-25-16/h6-7,14H,8-13,15H2,1-5H3
InChIKeyJQLYXZQEFSNADT-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.71
Rot. Bonds2

About tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 118662090) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID118662090
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Nametert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H32N2O2S/c1-18(2,3)24-17(23)22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-25-16/h6-7,14H,8-13,15H2,1-5H3
InChIKeyJQLYXZQEFSNADT-UHFFFAOYSA-N
XLogP4.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661931
1-[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662107
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118662335
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
CID 118662375
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665970

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate (CID 118662090) is tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is JQLYXZQEFSNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-18(2,3)24-17(23)22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-25-16/h6-7,14H,8-13,15H2,1-5H3.
What are the key properties of tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 364.56 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 118662090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).