8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

C16H23FN2O2S — CID 97372631

IUPAC8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H23FN2O2S/c1-22(20,21)19-10-2-7-16(19)8-11-18(12-9-16)13-14-3-5-15(17)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyUNJJOQSLAAYKMO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.22
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (PubChem CID 97372631) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
PubChem CID97372631
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H23FN2O2S/c1-22(20,21)19-10-2-7-16(19)8-11-18(12-9-16)13-14-3-5-15(17)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyUNJJOQSLAAYKMO-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
CID 878477
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
2-Benzyl-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3235309
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543
2-Benzyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359867
2-[(4-Fluorophenyl)methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360637
4-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 51360643
N-(1-benzylpiperidin-4-yl)methanesulfonamide
CID 669036
2-Benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 3234950
2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51359864

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (CID 97372631) is 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCCC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The InChIKey is UNJJOQSLAAYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-22(20,21)19-10-2-7-16(19)8-11-18(12-9-16)13-14-3-5-15(17)6-4-14/h3-6H,2,7-13H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane has a molecular weight of 326.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97372631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).