7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C20H27FN2OS — CID 45212874

IUPAC7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccccc2F)CCCC12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H27FN2OS/c21-18-5-2-1-4-16(18)14-22-10-3-8-20(19(22)24)9-11-23(15-20)17-6-12-25-13-7-17/h1-2,4-5,17H,3,6-15H2
InChIKeyUUEPCROFJMVARU-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.54
Rot. Bonds3

About 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45212874) has the molecular formula C20H27FN2OS and a molecular weight of 362.51 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45212874
Molecular FormulaC20H27FN2OS
Molecular Weight362.51 g/mol
Exact Mass362.18
IUPAC Name7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccccc2F)CCCC12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H27FN2OS/c21-18-5-2-1-4-16(18)14-22-10-3-8-20(19(22)24)9-11-23(15-20)17-6-12-25-13-7-17/h1-2,4-5,17H,3,6-15H2
InChIKeyUUEPCROFJMVARU-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
7-[(4-Propan-2-ylphenyl)methyl]-2-(thian-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 137641173
2-(2-Fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 644867
2-(4-Fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
CID 2881893
2-(4-Fluorophenyl)-3-(piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 5343899
2-Cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171184
7-(4-fluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45175774
7-(2,3-Difluorobenzyl)-2-(propylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45190107
7-(2,3-Difluorobenzyl)-2-(4-pentenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45201470
7-(3,4-Difluorobenzyl)-2-(ethylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206124
2-Cyclopentyl-7-(3,4-difluorobenzyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45214580

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 45212874) is 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(Cc2ccccc2F)CCCC12CCN(C1CCSCC1)C2.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UUEPCROFJMVARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2OS/c21-18-5-2-1-4-16(18)14-22-10-3-8-20(19(22)24)9-11-23(15-20)17-6-12-25-13-7-17/h1-2,4-5,17H,3,6-15H2.
What are the key properties of 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.51 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45212874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).