1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

C14H21FN2OS — CID 62644344

IUPAC1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(CCN1CCS(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-19(18)11-9-17/h2-5,14,16H,6-11H2,1H3
InChIKeyGLZAWQKPGWMHDD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.54
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 62644344) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID62644344
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(CCN1CCS(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-19(18)11-9-17/h2-5,14,16H,6-11H2,1H3
InChIKeyGLZAWQKPGWMHDD-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 63619738
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (CID 62644344) is 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is CNC(CCN1CCS(=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is GLZAWQKPGWMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-19(18)11-9-17/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 62644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).