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

C9H12FN3O2S — CID 90205281

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine
SMILESNc1cncc(F)c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H12FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h5-6H,1-4,11H2
InChIKeyULIRSGIFHBNGLX-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.04
Rot. Bonds1

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

4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine (PubChem CID 90205281) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine
PubChem CID90205281
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine
SMILESNc1cncc(F)c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H12FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h5-6H,1-4,11H2
InChIKeyULIRSGIFHBNGLX-UHFFFAOYSA-N
XLogP0.04
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
CID 144642146
3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluoro-2-methylaniline
CID 114244754
5-fluoro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 138645804
1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide
CID 90205681
5-fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)pyridin-3-amine
CID 90211980
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline
CID 113325166
5-bromo-4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80792235
5-chloro-4-morpholin-4-ylpyridin-3-amine
CID 126978057
6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine
CID 79827353
1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
CID 134304064
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79773364
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine (CID 90205281) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine is Nc1cncc(F)c1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine?
The InChIKey is ULIRSGIFHBNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c10-7-5-12-6-8(11)9(7)13-1-3-16(14,15)4-2-13/h5-6H,1-4,11H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine has a molecular weight of 245.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 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-fluoropyridin-3-amine is sourced from PubChem (CID 90205281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).