8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one

C15H20FN3O3S — CID 58877974

IUPAC8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C15H20FN3O3S/c16-12-2-1-11(10-17)13(9-12)23(21,22)19-7-4-15(5-8-19)3-6-18-14(15)20/h1-2,9H,3-8,10,17H2,(H,18,20)
InChIKeySMOBNTCAKBBATK-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.58
Rot. Bonds3

About 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one

8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 58877974) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID58877974
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C15H20FN3O3S/c16-12-2-1-11(10-17)13(9-12)23(21,22)19-7-4-15(5-8-19)3-6-18-14(15)20/h1-2,9H,3-8,10,17H2,(H,18,20)
InChIKeySMOBNTCAKBBATK-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one (CID 58877974) is 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one is NCc1ccc(F)cc1S(=O)(=O)N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SMOBNTCAKBBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c16-12-2-1-11(10-17)13(9-12)23(21,22)19-7-4-15(5-8-19)3-6-18-14(15)20/h1-2,9H,3-8,10,17H2,(H,18,20).
What are the key properties of 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 341.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58877974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).