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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{Thieno[3,2-b]pyridin-6-yl}propan-1-ol hydrochloride
CID 75481032
7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 75428335
[3-Ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol
CID 86803041
3-(1H-indol-3-yl)-2-(1-thiophen-3-ylethylamino)propan-1-ol
CID 121514571
[4-[(Thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol
CID 122150172
(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol
CID 125138222
N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 68817803
2-(2,4-Difluorophenyl)-1-[(5-pyridin-4-ylthiophen-3-yl)amino]ethanol
CID 163497926
1-[4-[(3-Ethylthieno[3,2-b]pyridin-7-yl)amino]-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
CID 176146023
(4-Methoxy-4-methyl-1-thieno[3,2-b]pyridin-6-ylpentyl)hydrazine
CID 103026975
4-methoxy-N,4-dimethyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 103035954
N-ethyl-4-methoxy-4-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 103035955

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).