7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide

C12H17NOS — CID 159202573

IUPAC7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
SMILESC=S1(=O)CCc2ccnc(C(C)(C)C)c21
InChIInChI=1S/C12H17NOS/c1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14/h5,7H,4,6,8H2,1-3H3
InChIKeyAGOQHGCITWVWNK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.01
Rot. Bonds

About 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide

7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide (PubChem CID 159202573) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide.

Molecular Properties

Compound Name7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
PubChem CID159202573
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
SMILESC=S1(=O)CCc2ccnc(C(C)(C)C)c21
InChIInChI=1S/C12H17NOS/c1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14/h5,7H,4,6,8H2,1-3H3
InChIKeyAGOQHGCITWVWNK-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 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

bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide
CID 165083683
4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 153306273
6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 158631254
2,10-dimethyl-2λ6-thia-3,9-diazabicyclo[4.4.0]deca-1(6),2,7,9-tetraene 2-oxide
CID 167144867
1,4-ditert-butylpyrrolo[3,2-c]pyridine
CID 118391024
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
2-tert-butyl-4-methylsulfonylpyridine-3-carbonitrile
CID 59589296
2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
CID 135291647
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-propan-2-yl-4,5-dihydro-1H-pyrido[4,3-d]thiazepine 3,3-dioxide
CID 67806812
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
2-tert-butyl-3-isocyanopyridin-4-amine
CID 157368113

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The IUPAC name of 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide (CID 159202573) is 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide.
What is the SMILES notation for 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The canonical SMILES for 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide is C=S1(=O)CCc2ccnc(C(C)(C)C)c21.
What is the InChIKey of 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The InChIKey is AGOQHGCITWVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,3)11-10-9(5-7-13-11)6-8-15(10,4)14/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide has a molecular weight of 223.34 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide is sourced from PubChem (CID 159202573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).