4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine

C9H18FN3O2S — CID 123302264

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
SMILESNC1CNCC(F)C1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h7-9,12H,1-6,11H2
InChIKeyDZGAYODXOFKSLV-UHFFFAOYSA-N
MW251.33 g/mol
LogP-1.65
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine (PubChem CID 123302264) has the molecular formula C9H18FN3O2S and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
PubChem CID123302264
Molecular FormulaC9H18FN3O2S
Molecular Weight251.33 g/mol
Exact Mass251.11
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
SMILESNC1CNCC(F)C1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h7-9,12H,1-6,11H2
InChIKeyDZGAYODXOFKSLV-UHFFFAOYSA-N
XLogP-1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine (CID 123302264) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine is NC1CNCC(F)C1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine?
The InChIKey is DZGAYODXOFKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h7-9,12H,1-6,11H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine has a molecular weight of 251.33 g/mol, XLogP of -1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine is sourced from PubChem (CID 123302264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).