2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol

C14H20N2OS — CID 109396214

IUPAC2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCc1cnc2ccsc2c1
InChIInChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)16-9-11-7-13-12(15-8-11)5-6-18-13/h5-8,16-17H,3-4,9-10H2,1-2H3
InChIKeyNKIFMTCMHCJYIX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.94
Rot. Bonds6

About 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol

2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol (PubChem CID 109396214) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol
PubChem CID109396214
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCc1cnc2ccsc2c1
InChIInChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)16-9-11-7-13-12(15-8-11)5-6-18-13/h5-8,16-17H,3-4,9-10H2,1-2H3
InChIKeyNKIFMTCMHCJYIX-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol (CID 109396214) is 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol is CCC(CC)(CO)NCc1cnc2ccsc2c1.
What is the InChIKey of 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol?
The InChIKey is NKIFMTCMHCJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)16-9-11-7-13-12(15-8-11)5-6-18-13/h5-8,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol?
2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol is sourced from PubChem (CID 109396214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).