thiazinane 1-oxide

C4H9NOS — CID 19830702

IUPACthiazinane 1-oxide
SMILESO=S1CCCCN1
InChIInChI=1S/C4H9NOS/c6-7-4-2-1-3-5-7/h5H,1-4H2
InChIKeyIYSXPNKEXJNXHG-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.03
Rot. Bonds

About thiazinane 1-oxide

thiazinane 1-oxide (PubChem CID 19830702) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is thiazinane 1-oxide.

Molecular Properties

Compound Namethiazinane 1-oxide
PubChem CID19830702
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Namethiazinane 1-oxide
SMILESO=S1CCCCN1
InChIInChI=1S/C4H9NOS/c6-7-4-2-1-3-5-7/h5H,1-4H2
InChIKeyIYSXPNKEXJNXHG-UHFFFAOYSA-N
XLogP0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thiazinane 1-oxide?
The IUPAC name of thiazinane 1-oxide (CID 19830702) is thiazinane 1-oxide.
What is the SMILES notation for thiazinane 1-oxide?
The canonical SMILES for thiazinane 1-oxide is O=S1CCCCN1.
What is the InChIKey of thiazinane 1-oxide?
The InChIKey is IYSXPNKEXJNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c6-7-4-2-1-3-5-7/h5H,1-4H2.
What are the key properties of thiazinane 1-oxide?
thiazinane 1-oxide has a molecular weight of 119.19 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiazinane 1-oxide is sourced from PubChem (CID 19830702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).