5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine

C16H30N2S — CID 106250319

IUPAC5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(NC2=NCC(CC)(CC)CS2)CC1
InChIInChI=1S/C16H30N2S/c1-4-13-7-9-14(10-8-13)18-15-17-11-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyWGBJTAXPBCVNHN-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.45
Rot. Bonds4

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

5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250319) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250319
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(NC2=NCC(CC)(CC)CS2)CC1
InChIInChI=1S/C16H30N2S/c1-4-13-7-9-14(10-8-13)18-15-17-11-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyWGBJTAXPBCVNHN-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106250319) is 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1CCC(NC2=NCC(CC)(CC)CS2)CC1.
What is the InChIKey of 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is WGBJTAXPBCVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-4-13-7-9-14(10-8-13)18-15-17-11-16(5-2,6-3)12-19-15/h13-14H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).