1,4-thiazinane 1-oxide

C4H9NOS — CID 12600299

IUPAC1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1
InChIInChI=1S/C4H9NOS/c6-7-3-1-5-2-4-7/h5H,1-4H2
InChIKeyYHIIJNLSGULWAA-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.66
Rot. Bonds

About 1,4-thiazinane 1-oxide

1,4-thiazinane 1-oxide (PubChem CID 12600299) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1,4-thiazinane 1-oxide
PubChem CID12600299
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1
InChIInChI=1S/C4H9NOS/c6-7-3-1-5-2-4-7/h5H,1-4H2
InChIKeyYHIIJNLSGULWAA-UHFFFAOYSA-N
XLogP-0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-thiazinane 1-oxide?
The IUPAC name of 1,4-thiazinane 1-oxide (CID 12600299) is 1,4-thiazinane 1-oxide.
What is the SMILES notation for 1,4-thiazinane 1-oxide?
The canonical SMILES for 1,4-thiazinane 1-oxide is O=S1CCNCC1.
What is the InChIKey of 1,4-thiazinane 1-oxide?
The InChIKey is YHIIJNLSGULWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c6-7-3-1-5-2-4-7/h5H,1-4H2.
What are the key properties of 1,4-thiazinane 1-oxide?
1,4-thiazinane 1-oxide has a molecular weight of 119.19 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-thiazinane 1-oxide is sourced from PubChem (CID 12600299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).