tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate

C20H29ClN2O3S — CID 118661935

IUPACtert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CC(=O)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H29ClN2O3S/c1-18(2,3)26-17(25)23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)27-14/h6-7H,8-13H2,1-5H3
InChIKeyHHNAXVOOLFXSRD-UHFFFAOYSA-N
MW412.98 g/mol
LogP4.89
Rot. Bonds2

About tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 118661935) has the molecular formula C20H29ClN2O3S and a molecular weight of 412.98 g/mol. Its IUPAC name is tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID118661935
Molecular FormulaC20H29ClN2O3S
Molecular Weight412.98 g/mol
Exact Mass412.16
IUPAC Nametert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CC(=O)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H29ClN2O3S/c1-18(2,3)26-17(25)23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)27-14/h6-7H,8-13H2,1-5H3
InChIKeyHHNAXVOOLFXSRD-UHFFFAOYSA-N
XLogP4.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.98
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661931
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
CID 118661993
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)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665977
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
CID 141473046
Tert-butyl 2-(3-chlorothiophen-2-yl)-5-oxopyrrolidine-1-carboxylate
CID 58817499
8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-3-(3-methoxy-3-methylbutyl)-3-azaspiro[4.5]decan-2-one
CID 118661918
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-2-azaspiro[4.5]decan-3-one
CID 118661933
8-(Dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118661990
1-[8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662031
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-3-azaspiro[4.5]decan-4-one
CID 118662034
2-Butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate (CID 118661935) is tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate is CN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CC(=O)N(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is HHNAXVOOLFXSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3S/c1-18(2,3)26-17(25)23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)27-14/h6-7H,8-13H2,1-5H3.
What are the key properties of tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 412.98 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 118661935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).