3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine

C14H22N2O2S — CID 62257885

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(CN)(CN1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-14(11-15,13-5-3-2-4-6-13)12-16-7-9-19(17,18)10-8-16/h2-6H,7-12,15H2,1H3
InChIKeyWBGPHPBCQNRALG-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.63
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 62257885) 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)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID62257885
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(CN)(CN1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-14(11-15,13-5-3-2-4-6-13)12-16-7-9-19(17,18)10-8-16/h2-6H,7-12,15H2,1H3
InChIKeyWBGPHPBCQNRALG-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine (CID 62257885) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine is CC(CN)(CN1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is WBGPHPBCQNRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(11-15,13-5-3-2-4-6-13)12-16-7-9-19(17,18)10-8-16/h2-6H,7-12,15H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 0.63, 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)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 62257885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).