5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine

C13H24N2O2S2 — CID 106250571

IUPAC5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC2(C)CCS(=O)(=O)C2)SC1
InChIInChI=1S/C13H24N2O2S2/c1-4-13(5-2)8-14-11(18-9-13)15-12(3)6-7-19(16,17)10-12/h4-10H2,1-3H3,(H,14,15)
InChIKeyNJAYRVYVPSUNRR-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.06
Rot. Bonds3

About 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250571) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250571
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC2(C)CCS(=O)(=O)C2)SC1
InChIInChI=1S/C13H24N2O2S2/c1-4-13(5-2)8-14-11(18-9-13)15-12(3)6-7-19(16,17)10-12/h4-10H2,1-3H3,(H,14,15)
InChIKeyNJAYRVYVPSUNRR-UHFFFAOYSA-N
XLogP2.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106250571) is 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NC2(C)CCS(=O)(=O)C2)SC1.
What is the InChIKey of 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NJAYRVYVPSUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-4-13(5-2)8-14-11(18-9-13)15-12(3)6-7-19(16,17)10-12/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).