2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one

C16H28N2OS — CID 59485312

IUPAC2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(CC2CCCCC2)CS1)C(C)(C)C
InChIInChI=1S/C16H28N2OS/c1-16(2,3)18(4)15-17-14(19)13(11-20-15)10-12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3
InChIKeyJLVAGXOJTCBFKS-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.93
Rot. Bonds2

About 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one

2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 59485312) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one
PubChem CID59485312
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(CC2CCCCC2)CS1)C(C)(C)C
InChIInChI=1S/C16H28N2OS/c1-16(2,3)18(4)15-17-14(19)13(11-20-15)10-12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3
InChIKeyJLVAGXOJTCBFKS-UHFFFAOYSA-N
XLogP3.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one
CID 59485306
1-tert-butyl-2-(cyclohexylmethyl)-1-methylhydrazine
CID 129238620
(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
CID 163908337
2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
CID 59485137
4-tert-butyl-2-(cyclopentylmethyl)cyclohexan-1-one
CID 63399146
N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036243
2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one
CID 58048393
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
cyclopentadecylmethylcyclopentadecane
CID 91804599
6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine
CID 15406771
N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
CID 157185328
2-(N-ethylanilino)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[e][1,3]thiazin-4-one
CID 59485292

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one (CID 59485312) is 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one is CN(C1=NC(=O)C(CC2CCCCC2)CS1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is JLVAGXOJTCBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)18(4)15-17-14(19)13(11-20-15)10-12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one?
2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 296.48 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 59485312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).