4-prop-2-enyl-1,4-thiazinane 1-oxide

C7H13NOS — CID 70453579

IUPAC4-prop-2-enyl-1,4-thiazinane 1-oxide
SMILESC=CCN1CCS(=O)CC1
InChIInChI=1S/C7H13NOS/c1-2-3-8-4-6-10(9)7-5-8/h2H,1,3-7H2
InChIKeyIGGAJTHBWIQODC-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.24
Rot. Bonds2

About 4-prop-2-enyl-1,4-thiazinane 1-oxide

4-prop-2-enyl-1,4-thiazinane 1-oxide (PubChem CID 70453579) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-prop-2-enyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-prop-2-enyl-1,4-thiazinane 1-oxide
PubChem CID70453579
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-prop-2-enyl-1,4-thiazinane 1-oxide
SMILESC=CCN1CCS(=O)CC1
InChIInChI=1S/C7H13NOS/c1-2-3-8-4-6-10(9)7-5-8/h2H,1,3-7H2
InChIKeyIGGAJTHBWIQODC-UHFFFAOYSA-N
XLogP0.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-prop-2-enyl-1,4-thiazinane 1-oxide (CID 70453579) is 4-prop-2-enyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-prop-2-enyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-prop-2-enyl-1,4-thiazinane 1-oxide is C=CCN1CCS(=O)CC1.
What is the InChIKey of 4-prop-2-enyl-1,4-thiazinane 1-oxide?
The InChIKey is IGGAJTHBWIQODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-8-4-6-10(9)7-5-8/h2H,1,3-7H2.
What are the key properties of 4-prop-2-enyl-1,4-thiazinane 1-oxide?
4-prop-2-enyl-1,4-thiazinane 1-oxide has a molecular weight of 159.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 70453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).