2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol

C15H15NOS3 — CID 106434757

IUPAC2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNC(c1cccs1)c1cccs1)c1ccsc1
InChIInChI=1S/C15H15NOS3/c17-12(11-5-8-18-10-11)9-16-15(13-3-1-6-19-13)14-4-2-7-20-14/h1-8,10,12,15-17H,9H2
InChIKeyZNZLENGQSBWNFL-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.28
Rot. Bonds6

About 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol

2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol (PubChem CID 106434757) has the molecular formula C15H15NOS3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
PubChem CID106434757
Molecular FormulaC15H15NOS3
Molecular Weight321.49 g/mol
Exact Mass321.03
IUPAC Name2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNC(c1cccs1)c1cccs1)c1ccsc1
InChIInChI=1S/C15H15NOS3/c17-12(11-5-8-18-10-11)9-16-15(13-3-1-6-19-13)14-4-2-7-20-14/h1-8,10,12,15-17H,9H2
InChIKeyZNZLENGQSBWNFL-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232548
(1S)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232550
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 100680717
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017

Frequently Asked Questions

What is the IUPAC name of 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol (CID 106434757) is 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol is OC(CNC(c1cccs1)c1cccs1)c1ccsc1.
What is the InChIKey of 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol?
The InChIKey is ZNZLENGQSBWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS3/c17-12(11-5-8-18-10-11)9-16-15(13-3-1-6-19-13)14-4-2-7-20-14/h1-8,10,12,15-17H,9H2.
What are the key properties of 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol?
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol has a molecular weight of 321.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).