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

C20H27FN2OS — CID 45234246

IUPAC7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H27FN2OS/c21-17-4-2-16(3-5-17)14-22-10-1-8-20(19(22)24)9-11-23(15-20)18-6-12-25-13-7-18/h2-5,18H,1,6-15H2
InChIKeyAWQONWCNFDTDER-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.54
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45234246) has the molecular formula C20H27FN2OS and a molecular weight of 362.51 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45234246
Molecular FormulaC20H27FN2OS
Molecular Weight362.51 g/mol
Exact Mass362.18
IUPAC Name7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H27FN2OS/c21-17-4-2-16(3-5-17)14-22-10-1-8-20(19(22)24)9-11-23(15-20)18-6-12-25-13-7-18/h2-5,18H,1,6-15H2
InChIKeyAWQONWCNFDTDER-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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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 45234246) is 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(Cc2ccc(F)cc2)CCCC12CCN(C1CCSCC1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AWQONWCNFDTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2OS/c21-17-4-2-16(3-5-17)14-22-10-1-8-20(19(22)24)9-11-23(15-20)18-6-12-25-13-7-18/h2-5,18H,1,6-15H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(4-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-[(4-fluorophenyl)methyl]-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45234246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).