2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol

C16H22N2OS — CID 64928442

IUPAC2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1cnc2ccsc2c1
InChIInChI=1S/C16H22N2OS/c1-11(17-9-12-4-2-3-5-15(12)19)13-8-16-14(18-10-13)6-7-20-16/h6-8,10-12,15,17,19H,2-5,9H2,1H3
InChIKeyQTJINZNHXDDQLB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.50
Rot. Bonds4

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

2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 64928442) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID64928442
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1cnc2ccsc2c1
InChIInChI=1S/C16H22N2OS/c1-11(17-9-12-4-2-3-5-15(12)19)13-8-16-14(18-10-13)6-7-20-16/h6-8,10-12,15,17,19H,2-5,9H2,1H3
InChIKeyQTJINZNHXDDQLB-UHFFFAOYSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol (CID 64928442) is 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1cnc2ccsc2c1.
What is the InChIKey of 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is QTJINZNHXDDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(17-9-12-4-2-3-5-15(12)19)13-8-16-14(18-10-13)6-7-20-16/h6-8,10-12,15,17,19H,2-5,9H2,1H3.
What are the key properties of 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol?
2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).