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

C8H17NOS — CID 59553935

IUPAC2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CCCN1C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-8(2,3)9-6-5-7-11(9,4)10/h4-7H2,1-3H3
InChIKeyIVEVNACIANEGNO-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds

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

2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide (PubChem CID 59553935) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
PubChem CID59553935
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CCCN1C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-8(2,3)9-6-5-7-11(9,4)10/h4-7H2,1-3H3
InChIKeyIVEVNACIANEGNO-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The IUPAC name of 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide (CID 59553935) is 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The canonical SMILES for 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide is C=S1(=O)CCCN1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
The InChIKey is IVEVNACIANEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2,3)9-6-5-7-11(9,4)10/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide?
2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 59553935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).