ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate

C14H25N3O2S — CID 136755271

IUPACethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(/N=C2/NC(C)CC(C)S2)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-19-14(18)17-7-5-12(6-8-17)16-13-15-10(2)9-11(3)20-13/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyDTWZUEBSJPUVGB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.47
Rot. Bonds2

About ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate

ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate (PubChem CID 136755271) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate
PubChem CID136755271
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nameethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(/N=C2/NC(C)CC(C)S2)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-19-14(18)17-7-5-12(6-8-17)16-13-15-10(2)9-11(3)20-13/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyDTWZUEBSJPUVGB-UHFFFAOYSA-N
XLogP2.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755481
ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate
CID 15725159
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate
CID 6943301
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-fluorosulfonylpiperidine-1-carboxylate
CID 122236020
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate (CID 136755271) is ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(/N=C2/NC(C)CC(C)S2)CC1.
What is the InChIKey of ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate?
The InChIKey is DTWZUEBSJPUVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-19-14(18)17-7-5-12(6-8-17)16-13-15-10(2)9-11(3)20-13/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate?
ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate has a molecular weight of 299.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136755271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).