2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide

C9H17N3O2S — CID 136805740

IUPAC2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide
SMILESCC1CCS/C(=N\CCOCC(N)=O)N1
InChIInChI=1S/C9H17N3O2S/c1-7-2-5-15-9(12-7)11-3-4-14-6-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyWXUWPQSRHRAAAX-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.04
Rot. Bonds5

About 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide

2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide (PubChem CID 136805740) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide
PubChem CID136805740
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide
SMILESCC1CCS/C(=N\CCOCC(N)=O)N1
InChIInChI=1S/C9H17N3O2S/c1-7-2-5-15-9(12-7)11-3-4-14-6-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyWXUWPQSRHRAAAX-UHFFFAOYSA-N
XLogP-0.04
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide (CID 136805740) is 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide is CC1CCS/C(=N\CCOCC(N)=O)N1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide?
The InChIKey is WXUWPQSRHRAAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7-2-5-15-9(12-7)11-3-4-14-6-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide?
2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide has a molecular weight of 231.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide is sourced from PubChem (CID 136805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).