5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H22N2S — CID 79363102

IUPAC5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC2C(C)(C)C2(C)C)SC1
InChIInChI=1S/C12H22N2S/c1-8-6-13-10(15-7-8)14-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyYPAVXPDKIDIQGI-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.75
Rot. Bonds1

About 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 79363102) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID79363102
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC2C(C)(C)C2(C)C)SC1
InChIInChI=1S/C12H22N2S/c1-8-6-13-10(15-7-8)14-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyYPAVXPDKIDIQGI-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 79363102) is 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC2C(C)(C)C2(C)C)SC1.
What is the InChIKey of 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YPAVXPDKIDIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8-6-13-10(15-7-8)14-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 79363102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).