(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C16H20F2N2O3S — CID 25372789

IUPAC(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C16H20F2N2O3S/c1-24(22,23)20-9-7-16(11-20)6-3-8-19(15(16)21)10-12-4-2-5-13(17)14(12)18/h2,4-5H,3,6-11H2,1H3/t16-/m0/s1
InChIKeyRCHSHAQNWWQWJX-INIZCTEOSA-N
MW358.41 g/mol
LogP1.74
Rot. Bonds3

About (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25372789) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25372789
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC Name(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C16H20F2N2O3S/c1-24(22,23)20-9-7-16(11-20)6-3-8-19(15(16)21)10-12-4-2-5-13(17)14(12)18/h2,4-5H,3,6-11H2,1H3/t16-/m0/s1
InChIKeyRCHSHAQNWWQWJX-INIZCTEOSA-N
XLogP1.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one 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

(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392252
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392250
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426622
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
CID 126451065
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459714
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42567368
(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
N-[2-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 45233045
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 25372789) is (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is CS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RCHSHAQNWWQWJX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c1-24(22,23)20-9-7-16(11-20)6-3-8-19(15(16)21)10-12-4-2-5-13(17)14(12)18/h2,4-5H,3,6-11H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25372789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).