N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine

C15H23BrN2OS — CID 63072054

IUPACN-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Br)cc1N1CCS(=O)CC1
InChIInChI=1S/C15H23BrN2OS/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-20(19)8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyICWVVHSCCBWMIA-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.76
Rot. Bonds5

About N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63072054) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63072054
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Br)cc1N1CCS(=O)CC1
InChIInChI=1S/C15H23BrN2OS/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-20(19)8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyICWVVHSCCBWMIA-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 63058751
N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63072055
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070135
1-[5-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanamine
CID 114061775
N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060934
N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070733
4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)aniline
CID 65342932
N-[(4-bromo-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 114380940
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63072054) is N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Br)cc1N1CCS(=O)CC1.
What is the InChIKey of N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ICWVVHSCCBWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-20(19)8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 359.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63072054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).