N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine

C13H19ClN2OS — CID 54977416

IUPACN-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCS(=O)CC1
InChIInChI=1S/C13H19ClN2OS/c1-2-15-10-11-12(14)4-3-5-13(11)16-6-8-18(17)9-7-16/h3-5,15H,2,6-10H2,1H3
InChIKeyLICNXUZNANVEPC-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.02
Rot. Bonds4

About N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine

N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine (PubChem CID 54977416) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
PubChem CID54977416
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCS(=O)CC1
InChIInChI=1S/C13H19ClN2OS/c1-2-15-10-11-12(14)4-3-5-13(11)16-6-8-18(17)9-7-16/h3-5,15H,2,6-10H2,1H3
InChIKeyLICNXUZNANVEPC-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070135
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635864
1-[3-chloro-2-(ethylaminomethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319211
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
2-[[(2-chloro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073263
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
4-[3-chloro-2-(ethylaminomethyl)phenyl]-3,3-dimethylpiperazin-2-one
CID 63606655
N-[[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977464
2-[[(2-chloro-6-morpholin-4-ylphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128310
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine (CID 54977416) is N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1N1CCS(=O)CC1.
What is the InChIKey of N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine?
The InChIKey is LICNXUZNANVEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-15-10-11-12(14)4-3-5-13(11)16-6-8-18(17)9-7-16/h3-5,15H,2,6-10H2,1H3.
What are the key properties of N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine has a molecular weight of 286.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 54977416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).