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

C15H26N2OS — CID 59485306

IUPAC2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(C2CCCCC2)CS1)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-15(2,3)17(4)14-16-13(18)12(10-19-14)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3
InChIKeyKZRVPTBVVZUPPW-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.54
Rot. Bonds1

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

2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 59485306) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one
PubChem CID59485306
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(C2CCCCC2)CS1)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-15(2,3)17(4)14-16-13(18)12(10-19-14)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3
InChIKeyKZRVPTBVVZUPPW-UHFFFAOYSA-N
XLogP3.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one
CID 59485312
2-[methyl(propan-2-yl)amino]-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
CID 59485137
2-cycloheptyl-7-methylcycloheptan-1-one
CID 154083547
2-(N-ethylanilino)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[e][1,3]thiazin-4-one
CID 59485292
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
CID 106363567
2-(4-chloro-N-ethylanilino)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,3]thiazin-4-one
CID 59485212
1-tert-butyl-2-(cyclohexylmethyl)-1-methylhydrazine
CID 129238620
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one
CID 70634055

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one (CID 59485306) is 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one is CN(C1=NC(=O)C(C2CCCCC2)CS1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is KZRVPTBVVZUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)17(4)14-16-13(18)12(10-19-14)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one?
2-[tert-butyl(methyl)amino]-5-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 282.45 g/mol, XLogP of 3.54, 1 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-cyclohexyl-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 59485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).