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

C15H24N2O2S — CID 102882810

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H24N2O2S/c1-11-6-4-5-7-14(11)15(13(3)16)17-8-9-20(18,19)10-12(17)2/h4-7,12-13,15H,8-10,16H2,1-3H3
InChIKeyMRSSPJYCBCRLKJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.50
Rot. Bonds3

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

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine (PubChem CID 102882810) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine
PubChem CID102882810
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H24N2O2S/c1-11-6-4-5-7-14(11)15(13(3)16)17-8-9-20(18,19)10-12(17)2/h4-7,12-13,15H,8-10,16H2,1-3H3
InChIKeyMRSSPJYCBCRLKJ-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine (CID 102882810) is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(C(C)N)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine?
The InChIKey is MRSSPJYCBCRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-6-4-5-7-14(11)15(13(3)16)17-8-9-20(18,19)10-12(17)2/h4-7,12-13,15H,8-10,16H2,1-3H3.
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine?
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine has a molecular weight of 296.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 102882810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).