9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

C18H23BrN2O3S — CID 69083404

IUPAC9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CN1C1CC1
InChIInChI=1S/C18H23BrN2O3S/c19-14-1-5-16(6-2-14)25(23,24)20-11-9-18(10-12-20)8-7-17(22)21(13-18)15-3-4-15/h1-2,5-6,15H,3-4,7-13H2
InChIKeyFOGUANFYCKQHNY-UHFFFAOYSA-N
MW427.36 g/mol
LogP3.00
Rot. Bonds3

About 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 69083404) has the molecular formula C18H23BrN2O3S and a molecular weight of 427.36 g/mol. Its IUPAC name is 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID69083404
Molecular FormulaC18H23BrN2O3S
Molecular Weight427.36 g/mol
Exact Mass426.06
IUPAC Name9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CN1C1CC1
InChIInChI=1S/C18H23BrN2O3S/c19-14-1-5-16(6-2-14)25(23,24)20-11-9-18(10-12-20)8-7-17(22)21(13-18)15-3-4-15/h1-2,5-6,15H,3-4,7-13H2
InChIKeyFOGUANFYCKQHNY-UHFFFAOYSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (CID 69083404) is 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CN1C1CC1.
What is the InChIKey of 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FOGUANFYCKQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3S/c19-14-1-5-16(6-2-14)25(23,24)20-11-9-18(10-12-20)8-7-17(22)21(13-18)15-3-4-15/h1-2,5-6,15H,3-4,7-13H2.
What are the key properties of 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 427.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 69083404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).