4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine

C15H29N3OS — CID 136848061

IUPAC4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCCN2CCOCC2)N1
InChIInChI=1S/C15H29N3OS/c1-15(2,3)13-5-12-20-14(17-13)16-6-4-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyRZHGXOBEOFLTJY-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.21
Rot. Bonds4

About 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136848061) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
PubChem CID136848061
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCCN2CCOCC2)N1
InChIInChI=1S/C15H29N3OS/c1-15(2,3)13-5-12-20-14(17-13)16-6-4-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyRZHGXOBEOFLTJY-UHFFFAOYSA-N
XLogP2.21
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
CID 136848255
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
CID 136848574
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977306
N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746906
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine (CID 136848061) is 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\CCCN2CCOCC2)N1.
What is the InChIKey of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is RZHGXOBEOFLTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-15(2,3)13-5-12-20-14(17-13)16-6-4-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 299.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).