3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide

C9H11NOS — CID 21300225

IUPAC3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide
SMILESCC1(C)CS(=O)c2ccncc21
InChIInChI=1S/C9H11NOS/c1-9(2)6-12(11)8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3
InChIKeyDURHNYPWKVHHKE-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.48
Rot. Bonds

About 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide

3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide (PubChem CID 21300225) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide.

Molecular Properties

Compound Name3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide
PubChem CID21300225
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide
SMILESCC1(C)CS(=O)c2ccncc21
InChIInChI=1S/C9H11NOS/c1-9(2)6-12(11)8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3
InChIKeyDURHNYPWKVHHKE-UHFFFAOYSA-N
XLogP1.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2H-thieno[3,2-c]pyridine
CID 21300242
3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
CID 21300229
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
CID 21300254
1-(4-ethyl-3-pyridinyl)cyclopropan-1-amine
CID 84764543
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
7-methyl-5,6-dihydrocyclopenta[c]pyridine-5,7-diol
CID 85099612
1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
CID 68633294
5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
CID 162518698
2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
CID 21300141
3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene
CID 155404101
4-chloro-3-(2,2-dimethylcyclopropyl)pyridine
CID 164582075

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide?
The IUPAC name of 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide (CID 21300225) is 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide.
What is the SMILES notation for 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide?
The canonical SMILES for 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide is CC1(C)CS(=O)c2ccncc21.
What is the InChIKey of 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide?
The InChIKey is DURHNYPWKVHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(2)6-12(11)8-3-4-10-5-7(8)9/h3-5H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide?
3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide has a molecular weight of 181.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide is sourced from PubChem (CID 21300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).