methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate

C9H16N2O2S — CID 136755252

IUPACmethyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
SMILESCOC(=O)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C9H16N2O2S/c1-6-4-7(2)14-9(11-6)10-5-8(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyIGZBZCMRVXXSGR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.02
Rot. Bonds2

About methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate

methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate (PubChem CID 136755252) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
PubChem CID136755252
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namemethyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
SMILESCOC(=O)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C9H16N2O2S/c1-6-4-7(2)14-9(11-6)10-5-8(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyIGZBZCMRVXXSGR-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.02
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

2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
ethyl 4-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]piperidine-1-carboxylate
CID 136755271
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 135901138
methyl 2-[[4-(2-methoxy-2-oxoethyl)iminocyclohexa-2,5-dien-1-ylidene]amino]acetate
CID 101059207
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755481
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
CID 97300343
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate
CID 169191950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate?
The IUPAC name of methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate (CID 136755252) is methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate.
What is the SMILES notation for methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate?
The canonical SMILES for methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate is COC(=O)C/N=C1/NC(C)CC(C)S1.
What is the InChIKey of methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate?
The InChIKey is IGZBZCMRVXXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6-4-7(2)14-9(11-6)10-5-8(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate?
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate has a molecular weight of 216.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate is sourced from PubChem (CID 136755252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).