4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C11H17NOS — CID 130983385

IUPAC4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOC(C)(C)C1NCCc2sccc21
InChIInChI=1S/C11H17NOS/c1-11(2,13-3)10-8-5-7-14-9(8)4-6-12-10/h5,7,10,12H,4,6H2,1-3H3
InChIKeyBOZKSKQMIPIXJC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.36
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 130983385) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID130983385
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOC(C)(C)C1NCCc2sccc21
InChIInChI=1S/C11H17NOS/c1-11(2,13-3)10-8-5-7-14-9(8)4-6-12-10/h5,7,10,12H,4,6H2,1-3H3
InChIKeyBOZKSKQMIPIXJC-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Related Compounds

(3-methoxy-3-methylbutyl) 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 106666175
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165478171
4-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 70136991
(3,5-dimethylcyclohexyl) 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 64733209
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138
methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 124584496
4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165470262
4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 102551191
2-propoxyethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 63685601
(4S)-4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7062069

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 130983385) is 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is COC(C)(C)C1NCCc2sccc21.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is BOZKSKQMIPIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,13-3)10-8-5-7-14-9(8)4-6-12-10/h5,7,10,12H,4,6H2,1-3H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 211.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 130983385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).