4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide

C8H17NOS — CID 158583901

IUPAC4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CC(C(C)(C)C)CN1
InChIInChI=1S/C8H17NOS/c1-8(2,3)7-5-9-11(4,10)6-7/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyZTBZUYLXMOALMP-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.88
Rot. Bonds

About 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide

4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide (PubChem CID 158583901) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
PubChem CID158583901
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CC(C(C)(C)C)CN1
InChIInChI=1S/C8H17NOS/c1-8(2,3)7-5-9-11(4,10)6-7/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyZTBZUYLXMOALMP-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-1,3-diazinane
CID 153432359
4-tert-butyl-1-methylidene-1,2,4-thiadiazolidine 1-oxide
CID 157340653
6-tert-butyl-1-methylidene-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]thiopyran 1-oxide
CID 158178290
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 167062060
3-tert-butyl-5-ethenylpiperidine
CID 155121651
(2S)-4-tert-butylpyrrolidine-2-carboxylic acid
CID 68652206
3-tert-butyl-5-methylpiperidine
CID 106778919
(3R)-3-tert-butylpiperidine
CID 59772800
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 58394776
3-tert-butyl-1,5,2-dithiazinane 1,5,5-trioxide
CID 58363628
2-(4-azido-2,3,5,6-tetrafluorophenyl)-5-tert-butyl-1,3-dithiane 1,1,3,3-tetraoxide
CID 10320427

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The IUPAC name of 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide (CID 158583901) is 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The canonical SMILES for 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide is C=S1(=O)CC(C(C)(C)C)CN1.
What is the InChIKey of 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The InChIKey is ZTBZUYLXMOALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2,3)7-5-9-11(4,10)6-7/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 158583901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).