2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine

C13H20N2S2 — CID 107132552

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine
SMILESNCC(C1CCSC1)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2S2/c14-7-12(11-2-5-16-9-11)15-4-1-13-10(8-15)3-6-17-13/h3,6,11-12H,1-2,4-5,7-9,14H2
InChIKeyQDBBVWXVIMHYRX-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.19
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine (PubChem CID 107132552) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine
PubChem CID107132552
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine
SMILESNCC(C1CCSC1)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2S2/c14-7-12(11-2-5-16-9-11)15-4-1-13-10(8-15)3-6-17-13/h3,6,11-12H,1-2,4-5,7-9,14H2
InChIKeyQDBBVWXVIMHYRX-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
CID 66269555
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 24693860
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66432722
2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
CID 43530847
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide
CID 60913679
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131795
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
CID 62439646

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine (CID 107132552) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine is NCC(C1CCSC1)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is QDBBVWXVIMHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c14-7-12(11-2-5-16-9-11)15-4-1-13-10(8-15)3-6-17-13/h3,6,11-12H,1-2,4-5,7-9,14H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 268.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 107132552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).