1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine

C14H21FN2O2S — CID 43581580

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21FN2O2S/c1-3-16-11(2)13-10-12(15)4-5-14(13)17-6-8-20(18,19)9-7-17/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyRGHRXNOCWQUPBP-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine (PubChem CID 43581580) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
PubChem CID43581580
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21FN2O2S/c1-3-16-11(2)13-10-12(15)4-5-14(13)17-6-8-20(18,19)9-7-17/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyRGHRXNOCWQUPBP-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine 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-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one
CID 64693858
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
CID 79674360
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
CID 43581566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine (CID 43581580) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine is CCNC(C)c1cc(F)ccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine?
The InChIKey is RGHRXNOCWQUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-16-11(2)13-10-12(15)4-5-14(13)17-6-8-20(18,19)9-7-17/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine has a molecular weight of 300.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43581580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).