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

C10H19N3OS — CID 136984877

IUPAC2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C10H19N3OS/c1-4-11-8(14)7-12-9-13-10(2,3)5-6-15-9/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyXZNCCJMQJLLKIU-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.98
Rot. Bonds3

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

2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide (PubChem CID 136984877) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
PubChem CID136984877
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C10H19N3OS/c1-4-11-8(14)7-12-9-13-10(2,3)5-6-15-9/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyXZNCCJMQJLLKIU-UHFFFAOYSA-N
XLogP0.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide?
The IUPAC name of 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide (CID 136984877) is 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide is CCNC(=O)C/N=C1/NC(C)(C)CCS1.
What is the InChIKey of 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide?
The InChIKey is XZNCCJMQJLLKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-11-8(14)7-12-9-13-10(2,3)5-6-15-9/h4-7H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide?
2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide has a molecular weight of 229.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide is sourced from PubChem (CID 136984877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).