4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline

C15H21FN2O2S — CID 63156800

IUPAC4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline
SMILESNc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C15H21FN2O2S/c16-13-11-12(17)3-4-14(13)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2
InChIKeyDFOGJLREJWTHJN-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.75
Rot. Bonds2

About 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline

4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline (PubChem CID 63156800) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline
PubChem CID63156800
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline
SMILESNc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C15H21FN2O2S/c16-13-11-12(17)3-4-14(13)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2
InChIKeyDFOGJLREJWTHJN-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline (CID 63156800) is 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline is Nc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c(F)c1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline?
The InChIKey is DFOGJLREJWTHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-11-12(17)3-4-14(13)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline?
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline has a molecular weight of 312.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline is sourced from PubChem (CID 63156800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).