N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide

C13H25N3OS — CID 136757322

IUPACN-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
SMILESCCC1(C)CCS/C(=N\CC(=O)NC(C)(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-6-13(5)7-8-18-11(16-13)14-9-10(17)15-12(2,3)4/h6-9H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyLYYYZQGLFQMLTB-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.15
Rot. Bonds3

About N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide

N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide (PubChem CID 136757322) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
PubChem CID136757322
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
SMILESCCC1(C)CCS/C(=N\CC(=O)NC(C)(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-6-13(5)7-8-18-11(16-13)14-9-10(17)15-12(2,3)4/h6-9H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyLYYYZQGLFQMLTB-UHFFFAOYSA-N
XLogP2.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propanoate
CID 136757113
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
2-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-tert-butylacetamide
CID 136993539
N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756994
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
4-ethyl-N-hexan-3-yl-4-methyl-1,3-thiazinan-2-imine
CID 136757189
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135901131
N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933414
4-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136757180
4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136987620
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
CID 136748256
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide (CID 136757322) is N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide is CCC1(C)CCS/C(=N\CC(=O)NC(C)(C)C)N1.
What is the InChIKey of N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide?
The InChIKey is LYYYZQGLFQMLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-13(5)7-8-18-11(16-13)14-9-10(17)15-12(2,3)4/h6-9H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide?
N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide has a molecular weight of 271.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide is sourced from PubChem (CID 136757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).