(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C19H21FN2OS — CID 97373985

IUPAC(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1
InChIInChI=1S/C19H21FN2OS/c1-14-5-6-17(24-14)11-21-8-7-19(12-21)10-18(23)22(13-19)16-4-2-3-15(20)9-16/h2-6,9H,7-8,10-13H2,1H3/t19-/m0/s1
InChIKeyVSUPQPCWFZIBMZ-IBGZPJMESA-N
MW344.46 g/mol
LogP3.82
Rot. Bonds3

About (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97373985) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97373985
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1
InChIInChI=1S/C19H21FN2OS/c1-14-5-6-17(24-14)11-21-8-7-19(12-21)10-18(23)22(13-19)16-4-2-3-15(20)9-16/h2-6,9H,7-8,10-13H2,1H3/t19-/m0/s1
InChIKeyVSUPQPCWFZIBMZ-IBGZPJMESA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
1-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 49675549
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376783
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
2-(3-Fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738801
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739322
2-Phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739666
2-(2-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739667
1-(2-Methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 118739701
N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739704
7-(2-Phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739708
1-(4-fluorophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 71886915

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 97373985) is (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1.
What is the InChIKey of (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is VSUPQPCWFZIBMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-14-5-6-17(24-14)11-21-8-7-19(12-21)10-18(23)22(13-19)16-4-2-3-15(20)9-16/h2-6,9H,7-8,10-13H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 344.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97373985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).