2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C15H21FN2O3S — CID 56710511

IUPAC2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1F
InChIInChI=1S/C15H21FN2O3S/c1-21-14-3-2-12(10-13(14)16)22(19,20)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyJHSMMXNIWRSYDD-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 56710511) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID56710511
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1F
InChIInChI=1S/C15H21FN2O3S/c1-21-14-3-2-12(10-13(14)16)22(19,20)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyJHSMMXNIWRSYDD-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 56710511) is 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is JHSMMXNIWRSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-21-14-3-2-12(10-13(14)16)22(19,20)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 328.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56710511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).