4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one

C14H16BrNOS — CID 748010

IUPAC4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyUYJZMBWICOIZIL-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.19
Rot. Bonds1

About 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 748010) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID748010
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyUYJZMBWICOIZIL-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2731872
N-(2-bromophenyl)-2-(cyclohexylthio)acetamide
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[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2827707
2-(4-Bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5234907
Rhodanine, 3-(p-bromophenyl)-
CID 99598
3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one
CID 3045438
N-(4-bromophenyl)-2-[(cyanomethyl)thio]acetamide
CID 2230065
4-(4-Fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 4099826
N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 4589295
3-(4-Bromophenyl)-2-(4-(dimethylamino) phenyl)thiazolidin-4-one
CID 102344124
3-(4-Bromophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 2844803
4-(4-Fluoro-phenyl)-2-methyl-1-thia-4-aza-spiro[4.5]decan-3-one
CID 3146224

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 748010) is 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is O=C1CSC2(CCCCC2)N1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is UYJZMBWICOIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2.
What are the key properties of 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 326.26 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 748010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).