3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine

C14H22N2O2S — CID 62618231

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)CCN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-2-4-13(5-3-12)14(15)6-7-16-8-10-19(17,18)11-9-16/h2-5,14H,6-11,15H2,1H3
InChIKeyVFWZGBLHJVDYIW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.12
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 62618231) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID62618231
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)CCN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-2-4-13(5-3-12)14(15)6-7-16-8-10-19(17,18)11-9-16/h2-5,14H,6-11,15H2,1H3
InChIKeyVFWZGBLHJVDYIW-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886494
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 62617885
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94437235
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
CID 102886557

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine (CID 62618231) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)CCN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is VFWZGBLHJVDYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-2-4-13(5-3-12)14(15)6-7-16-8-10-19(17,18)11-9-16/h2-5,14H,6-11,15H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).