[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine

C11H21FN2O2S — CID 115049253

IUPAC[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine
SMILESNCC1(F)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21FN2O2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2
InChIKeyADKFJNYPILZAGY-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.33
Rot. Bonds2

About [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine

[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine (PubChem CID 115049253) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine
PubChem CID115049253
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine
SMILESNCC1(F)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21FN2O2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2
InChIKeyADKFJNYPILZAGY-UHFFFAOYSA-N
XLogP0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine (CID 115049253) is [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine is NCC1(F)CCCN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine?
The InChIKey is ADKFJNYPILZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2.
What are the key properties of [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine?
[1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine is sourced from PubChem (CID 115049253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).