5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine

C11H20N2OS — CID 82728746

IUPAC5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1OCCC1NC1=NCC(C)(C)CS1
InChIInChI=1S/C11H20N2OS/c1-8-9(4-5-14-8)13-10-12-6-11(2,3)7-15-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyNGNFLHGTAMFYMB-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds1

About 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 82728746) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID82728746
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1OCCC1NC1=NCC(C)(C)CS1
InChIInChI=1S/C11H20N2OS/c1-8-9(4-5-14-8)13-10-12-6-11(2,3)7-15-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyNGNFLHGTAMFYMB-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 82728746) is 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine is CC1OCCC1NC1=NCC(C)(C)CS1.
What is the InChIKey of 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NGNFLHGTAMFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-9(4-5-14-8)13-10-12-6-11(2,3)7-15-10/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 82728746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).