N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine

C12H18FN3OS — CID 114035285

IUPACN-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1N1CCS(=O)CC1
InChIInChI=1S/C12H18FN3OS/c1-2-14-8-10-7-11(13)9-15-12(10)16-3-5-18(17)6-4-16/h7,9,14H,2-6,8H2,1H3
InChIKeyUYAQJDOBGQUIJB-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.90
Rot. Bonds4

About N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 114035285) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID114035285
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC NameN-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1N1CCS(=O)CC1
InChIInChI=1S/C12H18FN3OS/c1-2-14-8-10-7-11(13)9-15-12(10)16-3-5-18(17)6-4-16/h7,9,14H,2-6,8H2,1H3
InChIKeyUYAQJDOBGQUIJB-UHFFFAOYSA-N
XLogP0.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine (CID 114035285) is N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(F)cnc1N1CCS(=O)CC1.
What is the InChIKey of N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is UYAQJDOBGQUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-2-14-8-10-7-11(13)9-15-12(10)16-3-5-18(17)6-4-16/h7,9,14H,2-6,8H2,1H3.
What are the key properties of N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114035285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).