2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one

C15H22N2OS — CID 137231890

IUPAC2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one
SMILESCC1CS/C(=N\C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C15H22N2OS/c1-9-8-19-14(16-13(9)18)17-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17,18)
InChIKeySHLYMZGHTCGONQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.81
Rot. Bonds1

About 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one

2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one (PubChem CID 137231890) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one
PubChem CID137231890
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one
SMILESCC1CS/C(=N\C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C15H22N2OS/c1-9-8-19-14(16-13(9)18)17-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17,18)
InChIKeySHLYMZGHTCGONQ-UHFFFAOYSA-N
XLogP2.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1,3-thiazinane-2,4-dione
CID 13448592
6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 135989704
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356148
3-methyl-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098538
3,9-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356151
9-hydroxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098262
7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356139
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989507
(3S)-7-chloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 97184640
6-ethoxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356162
5-methyl-4-sulfanylidene-1,3-thiazinan-2-one
CID 130009696

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one?
The IUPAC name of 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one (CID 137231890) is 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one?
The canonical SMILES for 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one is CC1CS/C(=N\C23CC4CC(CC(C4)C2)C3)NC1=O.
What is the InChIKey of 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one?
The InChIKey is SHLYMZGHTCGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-9-8-19-14(16-13(9)18)17-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one?
2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one has a molecular weight of 278.42 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one is sourced from PubChem (CID 137231890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).