4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide

C9H19NOS — CID 18343083

IUPAC4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)10-5-7-12(4,11)8-6-10/h4-8H2,1-3H3
InChIKeyFVIQQCOXPDIRAD-UHFFFAOYSA-N
MW189.32 g/mol
LogP0.82
Rot. Bonds

About 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide

4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide (PubChem CID 18343083) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide
PubChem CID18343083
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)10-5-7-12(4,11)8-6-10/h4-8H2,1-3H3
InChIKeyFVIQQCOXPDIRAD-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide?
The IUPAC name of 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide (CID 18343083) is 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide is C=S1(=O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide?
The InChIKey is FVIQQCOXPDIRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)10-5-7-12(4,11)8-6-10/h4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide?
4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide has a molecular weight of 189.32 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide is sourced from PubChem (CID 18343083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).