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

C20H31FN2O3S — CID 118665970

IUPACtert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H31FN2O3S/c1-18(2,3)25-17(24)26-23-13-12-19(14-23)8-10-20(11-9-19,22(4)5)15-6-7-16(21)27-15/h6-7H,8-14H2,1-5H3
InChIKeyCBUQRCSXTXTSRJ-UHFFFAOYSA-N
MW398.54 g/mol
LogP4.78
Rot. Bonds3

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

tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate (PubChem CID 118665970) has the molecular formula C20H31FN2O3S and a molecular weight of 398.54 g/mol. Its IUPAC name is tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
PubChem CID118665970
Molecular FormulaC20H31FN2O3S
Molecular Weight398.54 g/mol
Exact Mass398.20
IUPAC Nametert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H31FN2O3S/c1-18(2,3)25-17(24)26-23-13-12-19(14-23)8-10-20(11-9-19,22(4)5)15-6-7-16(21)27-15/h6-7H,8-14H2,1-5H3
InChIKeyCBUQRCSXTXTSRJ-UHFFFAOYSA-N
XLogP4.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate 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
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
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
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665977
Butyl 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylate
CID 152348299
8-Dimethylamino-8-thiophen-2-yl-3-azaspiro[4.5]decane-3-carboxylic acid tert-butyl ester
CID 118662090
2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
CID 118662417
Tert-butyl [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665971
Tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665972

Frequently Asked Questions

What is the IUPAC name of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate?
The IUPAC name of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate (CID 118665970) is tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate.
What is the SMILES notation for tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate?
The canonical SMILES for tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate is CN(C)C1(c2ccc(F)s2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate?
The InChIKey is CBUQRCSXTXTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O3S/c1-18(2,3)25-17(24)26-23-13-12-19(14-23)8-10-20(11-9-19,22(4)5)15-6-7-16(21)27-15/h6-7H,8-14H2,1-5H3.
What are the key properties of tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate?
tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate has a molecular weight of 398.54 g/mol, XLogP of 4.78, 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)-2-azaspiro[4.5]decan-2-yl] carbonate is sourced from PubChem (CID 118665970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).