1-imino-4-methyl-1,4-thiazinane 1-oxide

C5H12N2OS — CID 59154803

IUPAC1-imino-4-methyl-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C)CC1
InChIInChI=1S/C5H12N2OS/c1-7-2-4-9(6,8)5-3-7/h6H,2-5H2,1H3
InChIKeyINFCEOUKNCQKCO-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.02
Rot. Bonds

About 1-imino-4-methyl-1,4-thiazinane 1-oxide

1-imino-4-methyl-1,4-thiazinane 1-oxide (PubChem CID 59154803) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-imino-4-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-imino-4-methyl-1,4-thiazinane 1-oxide
PubChem CID59154803
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-imino-4-methyl-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C)CC1
InChIInChI=1S/C5H12N2OS/c1-7-2-4-9(6,8)5-3-7/h6H,2-5H2,1H3
InChIKeyINFCEOUKNCQKCO-UHFFFAOYSA-N
XLogP-0.02
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-4-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 1-imino-4-methyl-1,4-thiazinane 1-oxide (CID 59154803) is 1-imino-4-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-imino-4-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-imino-4-methyl-1,4-thiazinane 1-oxide is [H]N=S1(=O)CCN(C)CC1.
What is the InChIKey of 1-imino-4-methyl-1,4-thiazinane 1-oxide?
The InChIKey is INFCEOUKNCQKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7-2-4-9(6,8)5-3-7/h6H,2-5H2,1H3.
What are the key properties of 1-imino-4-methyl-1,4-thiazinane 1-oxide?
1-imino-4-methyl-1,4-thiazinane 1-oxide has a molecular weight of 148.23 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 59154803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).