8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid

C16H21FN2O3S — CID 141473046

IUPAC8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(C(=O)O)C2
InChIInChI=1S/C16H21FN2O3S/c1-18(2)16(11-3-4-12(17)23-11)7-5-15(6-8-16)9-13(20)19(10-15)14(21)22/h3-4H,5-10H2,1-2H3,(H,21,22)
InChIKeyJIVUCKNRZGDLJA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.11
Rot. Bonds2

About 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid

8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 141473046) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID141473046
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(C(=O)O)C2
InChIInChI=1S/C16H21FN2O3S/c1-18(2)16(11-3-4-12(17)23-11)7-5-15(6-8-16)9-13(20)19(10-15)14(21)22/h3-4H,5-10H2,1-2H3,(H,21,22)
InChIKeyJIVUCKNRZGDLJA-UHFFFAOYSA-N
XLogP3.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 126462399
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
[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 118662049
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

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid (CID 141473046) is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid is CN(C)C1(c2ccc(F)s2)CCC2(CC1)CC(=O)N(C(=O)O)C2.
What is the InChIKey of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is JIVUCKNRZGDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-18(2)16(11-3-4-12(17)23-11)7-5-15(6-8-16)9-13(20)19(10-15)14(21)22/h3-4H,5-10H2,1-2H3,(H,21,22).
What are the key properties of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid?
8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 141473046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).