tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate

C20H29FN2O4S — CID 118665977

IUPACtert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(OC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H29FN2O4S/c1-18(2,3)26-17(25)27-23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)28-14/h6-7H,8-13H2,1-5H3
InChIKeyFOSWJLQSIGNOPM-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate

tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate (PubChem CID 118665977) has the molecular formula C20H29FN2O4S and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
PubChem CID118665977
Molecular FormulaC20H29FN2O4S
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Nametert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(OC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H29FN2O4S/c1-18(2,3)26-17(25)27-23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)28-14/h6-7H,8-13H2,1-5H3
InChIKeyFOSWJLQSIGNOPM-UHFFFAOYSA-N
XLogP4.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate with MolForge

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Related Compounds

8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
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-azaspiro[4.5]decan-3-one
CID 118662004
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
8-(Dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118666604
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
CID 141473046
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661935

Frequently Asked Questions

What is the IUPAC name of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate?
The IUPAC name of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate (CID 118665977) is tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate.
What is the SMILES notation for tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate?
The canonical SMILES for tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate is CN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(OC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate?
The InChIKey is FOSWJLQSIGNOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O4S/c1-18(2,3)26-17(25)27-23-13-19(12-16(23)24)8-10-20(11-9-19,22(4)5)14-6-7-15(21)28-14/h6-7H,8-13H2,1-5H3.
What are the key properties of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate?
tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate has a molecular weight of 412.53 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate is sourced from PubChem (CID 118665977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).