2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H25FN2O3S — CID 91922032

IUPAC2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)Cc2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C17H25FN2O3S/c1-23-11-15-10-20(13-17(15)6-8-19-9-7-17)24(21,22)12-14-2-4-16(18)5-3-14/h2-5,15,19H,6-13H2,1H3
InChIKeyKAGNALKSOBHPFO-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.60
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922032) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922032
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)Cc2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C17H25FN2O3S/c1-23-11-15-10-20(13-17(15)6-8-19-9-7-17)24(21,22)12-14-2-4-16(18)5-3-14/h2-5,15,19H,6-13H2,1H3
InChIKeyKAGNALKSOBHPFO-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Fluorophenyl)methylsulfonyl]-4-pyrrolidin-3-ylpiperidine
CID 91910161
1-[(4-Fluorophenyl)methanesulfonyl]-4-(pyrrolidin-3-YL)piperidine
CID 91910163
1-[(3-fluorobenzyl)sulfonyl]-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910164
2-(4-Fluorobenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910498
2-(4-Fluoro-3-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910500
2-(3-Fluoro-4-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910503
2-(5-Fluoro-2-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910504
2-[(3-Fluorobenzyl)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91922033
8-(3,5-Difluorophenyl)sulfonyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922103
4-Fluorobenzyl [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone
CID 91922107
1-[8-[(4-Fluorobenzyl)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922170
2-(Benzylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922032) is 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)Cc2ccc(F)cc2)CC12CCNCC2.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is KAGNALKSOBHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-23-11-15-10-20(13-17(15)6-8-19-9-7-17)24(21,22)12-14-2-4-16(18)5-3-14/h2-5,15,19H,6-13H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 356.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).