(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C14H15BrClNO2S — CID 90510687

IUPAC(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H15BrClNO2S/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeySVIFRGVUEMHFOO-UHFFFAOYSA-N
MW376.70 g/mol
LogP3.80
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 90510687) has the molecular formula C14H15BrClNO2S and a molecular weight of 376.70 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID90510687
Molecular FormulaC14H15BrClNO2S
Molecular Weight376.70 g/mol
Exact Mass374.97
IUPAC Name(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H15BrClNO2S/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeySVIFRGVUEMHFOO-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.70
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 90510687) is (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCC2(CC1)OCCS2.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SVIFRGVUEMHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 376.70 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 90510687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).