(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

C22H27FN2O3S — CID 97482676

IUPAC(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1
InChIInChI=1S/C22H27FN2O3S/c1-28-20-5-2-4-18(14-20)15-24-12-3-10-22(16-24)11-13-25(17-22)29(26,27)21-8-6-19(23)7-9-21/h2,4-9,14H,3,10-13,15-17H2,1H3/t22-/m0/s1
InChIKeyHRZDHQNJUVTHHY-QFIPXVFZSA-N
MW418.53 g/mol
LogP3.51
Rot. Bonds5

About (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 97482676) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID97482676
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1
InChIInChI=1S/C22H27FN2O3S/c1-28-20-5-2-4-18(14-20)15-24-12-3-10-22(16-24)11-13-25(17-22)29(26,27)21-8-6-19(23)7-9-21/h2,4-9,14H,3,10-13,15-17H2,1H3/t22-/m0/s1
InChIKeyHRZDHQNJUVTHHY-QFIPXVFZSA-N
XLogP3.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane 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)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane
CID 97472443
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
4-[[(5S)-2-(4-fluorophenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483085
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
2-(2,5-dimethoxyphenyl)sulfonyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 155877342

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 97482676) is (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is COc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1.
What is the InChIKey of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is HRZDHQNJUVTHHY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-28-20-5-2-4-18(14-20)15-24-12-3-10-22(16-24)11-13-25(17-22)29(26,27)21-8-6-19(23)7-9-21/h2,4-9,14H,3,10-13,15-17H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 418.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).