3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine

C10H20FN3O2S — CID 123411945

IUPAC3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
SMILESNCC1(F)CN(CC2CS(=O)(=O)CCC2N)C1
InChIInChI=1S/C10H20FN3O2S/c11-10(5-12)6-14(7-10)3-8-4-17(15,16)2-1-9(8)13/h8-9H,1-7,12-13H2
InChIKeyHRZJQSRGVABFBK-UHFFFAOYSA-N
MW265.35 g/mol
LogP-1.27
Rot. Bonds3

About 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine

3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine (PubChem CID 123411945) has the molecular formula C10H20FN3O2S and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
PubChem CID123411945
Molecular FormulaC10H20FN3O2S
Molecular Weight265.35 g/mol
Exact Mass265.13
IUPAC Name3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
SMILESNCC1(F)CN(CC2CS(=O)(=O)CCC2N)C1
InChIInChI=1S/C10H20FN3O2S/c11-10(5-12)6-14(7-10)3-8-4-17(15,16)2-1-9(8)13/h8-9H,1-7,12-13H2
InChIKeyHRZJQSRGVABFBK-UHFFFAOYSA-N
XLogP-1.27
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105509019
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-3-amine
CID 105515166
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-4-amine
CID 105515167
[1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-3-yl]methanamine
CID 115049253
1-[(4-Fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine
CID 126845808
1-[(3-Fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 126845984
4-{[(1r,3r)-3-Aminocyclobutyl]methyl}-1lambda6-thiomorpholine-1,1-dione
CID 67216215
(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine
CID 141112665
1-(1,1-Dioxothian-4-yl)-3-methylpiperidin-4-amine
CID 61557357
3-Methyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 61557998
1-(1,1-Dioxothiolan-3-yl)-3-methylpiperidin-4-amine
CID 61558850
[1-(1,1-Dioxothian-4-yl)piperidin-3-yl]methanamine
CID 61789240

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine?
The IUPAC name of 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine (CID 123411945) is 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine is NCC1(F)CN(CC2CS(=O)(=O)CCC2N)C1.
What is the InChIKey of 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine?
The InChIKey is HRZJQSRGVABFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O2S/c11-10(5-12)6-14(7-10)3-8-4-17(15,16)2-1-9(8)13/h8-9H,1-7,12-13H2.
What are the key properties of 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine?
3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine has a molecular weight of 265.35 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 123411945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).