N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine

C15H19NOS2 — CID 102672384

IUPACN-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
SMILESc1csc(C(NCCC2CCOC2)c2cccs2)c1
InChIInChI=1S/C15H19NOS2/c1-3-13(18-9-1)15(14-4-2-10-19-14)16-7-5-12-6-8-17-11-12/h1-4,9-10,12,15-16H,5-8,11H2
InChIKeyGZTAIIROLOSOTE-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.92
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine

N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine (PubChem CID 102672384) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
PubChem CID102672384
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC NameN-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
SMILESc1csc(C(NCCC2CCOC2)c2cccs2)c1
InChIInChI=1S/C15H19NOS2/c1-3-13(18-9-1)15(14-4-2-10-19-14)16-7-5-12-6-8-17-11-12/h1-4,9-10,12,15-16H,5-8,11H2
InChIKeyGZTAIIROLOSOTE-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(oxolan-3-yl)ethanamine
CID 104465767
N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine
CID 43206051
2-methyl-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43232139
3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433602
1-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-2-amine
CID 43433606
3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433630
1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433656
3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433670
3-(cyclopropylmethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433718
3-(2-methylpropoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433721
3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433722
1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43435316

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine (CID 102672384) is N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine is c1csc(C(NCCC2CCOC2)c2cccs2)c1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is GZTAIIROLOSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-3-13(18-9-1)15(14-4-2-10-19-14)16-7-5-12-6-8-17-11-12/h1-4,9-10,12,15-16H,5-8,11H2.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine?
N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102672384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).