9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

C10H19FN2O2S — CID 120719267

IUPAC9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(CCCF)N1C2CCNCC1CC2
InChIInChI=1S/C10H19FN2O2S/c11-5-1-7-16(14,15)13-9-2-3-10(13)8-12-6-4-9/h9-10,12H,1-8H2
InChIKeyVYVBXVXCDHNLPA-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.50
Rot. Bonds4

About 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 120719267) has the molecular formula C10H19FN2O2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID120719267
Molecular FormulaC10H19FN2O2S
Molecular Weight250.34 g/mol
Exact Mass250.12
IUPAC Name9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(CCCF)N1C2CCNCC1CC2
InChIInChI=1S/C10H19FN2O2S/c11-5-1-7-16(14,15)13-9-2-3-10(13)8-12-6-4-9/h9-10,12H,1-8H2
InChIKeyVYVBXVXCDHNLPA-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (CID 120719267) is 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(CCCF)N1C2CCNCC1CC2.
What is the InChIKey of 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is VYVBXVXCDHNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2S/c11-5-1-7-16(14,15)13-9-2-3-10(13)8-12-6-4-9/h9-10,12H,1-8H2.
What are the key properties of 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 250.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoropropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 120719267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).