2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide

C9H17N3OS — CID 136755278

IUPAC2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C9H17N3OS/c1-6-4-7(2)14-9(12-6)11-5-8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeySRGUCEIPNOAHIC-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.59
Rot. Bonds2

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

2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide (PubChem CID 136755278) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
PubChem CID136755278
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C9H17N3OS/c1-6-4-7(2)14-9(12-6)11-5-8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeySRGUCEIPNOAHIC-UHFFFAOYSA-N
XLogP0.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.59
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-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
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-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 135901138

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide?
The IUPAC name of 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide (CID 136755278) is 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide is CNC(=O)C/N=C1/NC(C)CC(C)S1.
What is the InChIKey of 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide?
The InChIKey is SRGUCEIPNOAHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6-4-7(2)14-9(12-6)11-5-8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide?
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide has a molecular weight of 215.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide is sourced from PubChem (CID 136755278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).