[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone

C14H19FN2O4S — CID 124522121

IUPAC[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
SMILESCS(=O)(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17-6-4-12(15)14(10-17)5-7-16(9-14)13(18)11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeySGAHZFMGYWNKOD-JSGCOSHPSA-N
MW330.38 g/mol
LogP1.12
Rot. Bonds2

About [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone

[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone (PubChem CID 124522121) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
PubChem CID124522121
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
SMILESCS(=O)(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17-6-4-12(15)14(10-17)5-7-16(9-14)13(18)11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeySGAHZFMGYWNKOD-JSGCOSHPSA-N
XLogP1.12
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95112284
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
[(3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(furan-2-yl)methanone
CID 97402486
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
N-[[(7R)-2-(furan-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783408
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411

Frequently Asked Questions

What is the IUPAC name of [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone (CID 124522121) is [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone is CS(=O)(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1.
What is the InChIKey of [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone?
The InChIKey is SGAHZFMGYWNKOD-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)17-6-4-12(15)14(10-17)5-7-16(9-14)13(18)11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3/t12-,14-/m0/s1.
What are the key properties of [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone?
[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 124522121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).