5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H19NS — CID 176622093

IUPAC5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)(C)CN1CCc2sccc2C1
InChIInChI=1S/C12H19NS/c1-12(2,3)9-13-6-4-11-10(8-13)5-7-14-11/h5,7H,4,6,8-9H2,1-3H3
InChIKeyLSEQNSIIMXPRFH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.15
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 176622093) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID176622093
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)(C)CN1CCc2sccc2C1
InChIInChI=1S/C12H19NS/c1-12(2,3)9-13-6-4-11-10(8-13)5-7-14-11/h5,7H,4,6,8-9H2,1-3H3
InChIKeyLSEQNSIIMXPRFH-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65005365
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 62263191
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 176622093) is 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)(C)CN1CCc2sccc2C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is LSEQNSIIMXPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-12(2,3)9-13-6-4-11-10(8-13)5-7-14-11/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 209.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 176622093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).