8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one

C15H21FN2OS — CID 118662004

IUPAC8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H21FN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-13(19)17-10-14/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyBDPHWWHAHDUJPQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.72
Rot. Bonds2

About 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118662004) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one
PubChem CID118662004
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H21FN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-13(19)17-10-14/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyBDPHWWHAHDUJPQ-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluoro-phenyl)-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11269915
4-(4-Fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11441323
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
Rac-8-[1-(5-methyl-thiophen-2-yl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414889
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
4-(4-Fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45263429
4-(4-Fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45263430
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 118742267
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 42169478
3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]-N-methyl-N-(3-thienylmethyl)propanamide
CID 45177249
3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]-N-(3-thienylmethyl)propanamide
CID 45185306

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one (CID 118662004) is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one is CN(C)C1(c2ccc(F)s2)CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is BDPHWWHAHDUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-13(19)17-10-14/h3-4H,5-10H2,1-2H3,(H,17,19).
What are the key properties of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 296.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).