1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine

C13H19ClN2OS — CID 55019457

IUPAC1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCS(=O)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-18(17)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3
InChIKeyAJNQEYVHRDXNJQ-UHFFFAOYSA-N
MW286.83 g/mol
LogP1.79
Rot. Bonds3

About 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine

1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine (PubChem CID 55019457) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
PubChem CID55019457
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCS(=O)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-18(17)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3
InChIKeyAJNQEYVHRDXNJQ-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55019551
4-[2-amino-1-(3-chlorophenyl)propyl]-1,4-diazepan-2-one
CID 65361473
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 103494129
1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62630652
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
CID 55038610
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine (CID 55019457) is 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine is CC(N)C(c1cccc(Cl)c1)N1CCS(=O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine?
The InChIKey is AJNQEYVHRDXNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-18(17)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine has a molecular weight of 286.83 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine is sourced from PubChem (CID 55019457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).