N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C14H22FN3OS — CID 105385341

IUPACN-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(N2CCS(=O)CC2)c1F
InChIInChI=1S/C14H22FN3OS/c1-14(2,3)17-10-11-4-5-16-13(12(11)15)18-6-8-20(19)9-7-18/h4-5,17H,6-10H2,1-3H3
InChIKeyBYEMQCSBUMFZQG-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.68
Rot. Bonds3

About N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 105385341) has the molecular formula C14H22FN3OS and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID105385341
Molecular FormulaC14H22FN3OS
Molecular Weight299.41 g/mol
Exact Mass299.15
IUPAC NameN-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(N2CCS(=O)CC2)c1F
InChIInChI=1S/C14H22FN3OS/c1-14(2,3)17-10-11-4-5-16-13(12(11)15)18-6-8-20(19)9-7-18/h4-5,17H,6-10H2,1-3H3
InChIKeyBYEMQCSBUMFZQG-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105385843
N-[[2-(3,4-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105387593
N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105385021
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105384909
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293525
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 105385341) is N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnc(N2CCS(=O)CC2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BYEMQCSBUMFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3OS/c1-14(2,3)17-10-11-4-5-16-13(12(11)15)18-6-8-20(19)9-7-18/h4-5,17H,6-10H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).