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

C14H23NS — CID 163259524

IUPAC3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCC(C)Cc1csc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H23NS/c1-10(2)7-12-9-16-14-8-15(11(3)4)6-5-13(12)14/h9-11H,5-8H2,1-4H3
InChIKeyDWRNXHVLFIAEAM-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.71
Rot. Bonds3

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

3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 163259524) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID163259524
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCC(C)Cc1csc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H23NS/c1-10(2)7-12-9-16-14-8-15(11(3)4)6-5-13(12)14/h9-11H,5-8H2,1-4H3
InChIKeyDWRNXHVLFIAEAM-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 163259524) is 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is CC(C)Cc1csc2c1CCN(C(C)C)C2.
What is the InChIKey of 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is DWRNXHVLFIAEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)7-12-9-16-14-8-15(11(3)4)6-5-13(12)14/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 237.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 163259524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).