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

C15H24N2O2S — CID 102886557

IUPAC3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)CCN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-4-3-5-14(10-12)15(16)6-7-17-8-9-20(18,19)11-13(17)2/h3-5,10,13,15H,6-9,11,16H2,1-2H3
InChIKeyZUOUSLOCZRUTAS-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.50
Rot. Bonds4

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

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine (PubChem CID 102886557) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
PubChem CID102886557
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)CCN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-4-3-5-14(10-12)15(16)6-7-17-8-9-20(18,19)11-13(17)2/h3-5,10,13,15H,6-9,11,16H2,1-2H3
InChIKeyZUOUSLOCZRUTAS-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886494
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886666
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618231
3-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline
CID 102882779
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
CID 97007589
1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886573
2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 102882695
1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
CID 102887348

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine (CID 102886557) is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine is Cc1cccc(C(N)CCN2CCS(=O)(=O)CC2C)c1.
What is the InChIKey of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine?
The InChIKey is ZUOUSLOCZRUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-4-3-5-14(10-12)15(16)6-7-17-8-9-20(18,19)11-13(17)2/h3-5,10,13,15H,6-9,11,16H2,1-2H3.
What are the key properties of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine?
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 102886557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).