(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol

C12H16N2OS — CID 103789089

IUPAC(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
SMILESCC(N[C@@H](C)CO)c1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-8(7-15)14-9(2)10-5-12-11(13-6-10)3-4-16-12/h3-6,8-9,14-15H,7H2,1-2H3/t8-,9?/m0/s1
InChIKeyYQOHSOILZLUGIW-IENPIDJESA-N
MW236.34 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol

(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol (PubChem CID 103789089) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
PubChem CID103789089
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
SMILESCC(N[C@@H](C)CO)c1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-8(7-15)14-9(2)10-5-12-11(13-6-10)3-4-16-12/h3-6,8-9,14-15H,7H2,1-2H3/t8-,9?/m0/s1
InChIKeyYQOHSOILZLUGIW-IENPIDJESA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The IUPAC name of (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol (CID 103789089) is (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol is CC(N[C@@H](C)CO)c1cnc2ccsc2c1.
What is the InChIKey of (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The InChIKey is YQOHSOILZLUGIW-IENPIDJESA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(7-15)14-9(2)10-5-12-11(13-6-10)3-4-16-12/h3-6,8-9,14-15H,7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol has a molecular weight of 236.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol is sourced from PubChem (CID 103789089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).