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

C14H21ClN2O3S — CID 63060589

IUPACN-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-20-8-5-16-11-12-13(15)3-2-4-14(12)17-6-9-21(18,19)10-7-17/h2-4,16H,5-11H2,1H3
InChIKeyFCVBTBHYAWSKKP-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.31
Rot. Bonds6

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

N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63060589) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63060589
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-20-8-5-16-11-12-13(15)3-2-4-14(12)17-6-9-21(18,19)10-7-17/h2-4,16H,5-11H2,1H3
InChIKeyFCVBTBHYAWSKKP-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060080
[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43581765
N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058796
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 63058753
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64782545
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977416
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine (CID 63060589) is N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1c(Cl)cccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is FCVBTBHYAWSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-20-8-5-16-11-12-13(15)3-2-4-14(12)17-6-9-21(18,19)10-7-17/h2-4,16H,5-11H2,1H3.
What are the key properties of N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 332.85 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63060589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).