1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine

C14H21BrN2O2S — CID 62617885

IUPAC1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCS(=O)(=O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2S/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-20(18,19)11-9-17/h2-5,14,16H,6-11H2,1H3
InChIKeyRTRAQEWUTKNMFX-UHFFFAOYSA-N
MW361.31 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine

1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine (PubChem CID 62617885) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
PubChem CID62617885
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCS(=O)(=O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2S/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-20(18,19)11-9-17/h2-5,14,16H,6-11H2,1H3
InChIKeyRTRAQEWUTKNMFX-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618231
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine (CID 62617885) is 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine is CNC(CCN1CCS(=O)(=O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine?
The InChIKey is RTRAQEWUTKNMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-16-14(12-2-4-13(15)5-3-12)6-7-17-8-10-20(18,19)11-9-17/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine?
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine has a molecular weight of 361.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62617885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).