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

C13H22N2O2S2 — CID 102882835

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H22N2O2S2/c1-9-4-6-18-13(9)12(11(3)14)15-5-7-19(16,17)8-10(15)2/h4,6,10-12H,5,7-8,14H2,1-3H3
InChIKeyJIYWRLXDPCYYLL-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.56
Rot. Bonds3

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

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 102882835) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID102882835
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H22N2O2S2/c1-9-4-6-18-13(9)12(11(3)14)15-5-7-19(16,17)8-10(15)2/h4,6,10-12H,5,7-8,14H2,1-3H3
InChIKeyJIYWRLXDPCYYLL-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine (CID 102882835) is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine is Cc1ccsc1C(C(C)N)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is JIYWRLXDPCYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-9-4-6-18-13(9)12(11(3)14)15-5-7-19(16,17)8-10(15)2/h4,6,10-12H,5,7-8,14H2,1-3H3.
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 302.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 102882835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).