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

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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).