1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C16H21NOS2 — CID 103768976

IUPAC1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)C1CCOCC1
InChIInChI=1S/C16H21NOS2/c1-12(13-4-6-18-7-5-13)17-10-15-9-14(11-20-15)16-3-2-8-19-16/h2-3,8-9,11-13,17H,4-7,10H2,1H3
InChIKeyONSVHQANYJNHJH-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.38
Rot. Bonds5

About 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 103768976) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID103768976
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC Name1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)C1CCOCC1
InChIInChI=1S/C16H21NOS2/c1-12(13-4-6-18-7-5-13)17-10-15-9-14(11-20-15)16-3-2-8-19-16/h2-3,8-9,11-13,17H,4-7,10H2,1H3
InChIKeyONSVHQANYJNHJH-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 115680155
1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433645
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 103768976) is 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is CC(NCc1cc(-c2cccs2)cs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is ONSVHQANYJNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-12(13-4-6-18-7-5-13)17-10-15-9-14(11-20-15)16-3-2-8-19-16/h2-3,8-9,11-13,17H,4-7,10H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 307.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 103768976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).