(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane

C21H26FN3O2S — CID 97483247

IUPAC(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1
InChIInChI=1S/C21H26FN3O2S/c1-17-4-2-5-19(23-17)14-24-12-3-10-21(15-24)11-13-25(16-21)28(26,27)20-8-6-18(22)7-9-20/h2,4-9H,3,10-16H2,1H3/t21-/m0/s1
InChIKeyMQBLCJHMPYUPMS-NRFANRHFSA-N
MW403.52 g/mol
LogP3.21
Rot. Bonds4

About (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane

(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 97483247) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID97483247
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1
InChIInChI=1S/C21H26FN3O2S/c1-17-4-2-5-19(23-17)14-24-12-3-10-21(15-24)11-13-25(16-21)28(26,27)20-8-6-18(22)7-9-20/h2,4-9H,3,10-16H2,1H3/t21-/m0/s1
InChIKeyMQBLCJHMPYUPMS-NRFANRHFSA-N
XLogP3.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

4-[[(5S)-2-(4-fluorophenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483085
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
2-(4-chloro-2,5-dimethylphenyl)sulfonyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 155878255
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
3,5-dimethyl-4-[[(5S)-2-(4-methylphenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 97483105
(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 95717588
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane (CID 97483247) is (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane is Cc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1.
What is the InChIKey of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is MQBLCJHMPYUPMS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-17-4-2-5-19(23-17)14-24-12-3-10-21(15-24)11-13-25(16-21)28(26,27)20-8-6-18(22)7-9-20/h2,4-9H,3,10-16H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 403.52 g/mol, XLogP of 3.21, 4 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-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97483247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).