N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine

C14H23NS3 — CID 113299739

IUPACN-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1SCCSC1CC
InChIInChI=1S/C14H23NS3/c1-3-13-14(18-8-7-17-13)12(15-4-2)9-11-5-6-16-10-11/h5-6,10,12-15H,3-4,7-9H2,1-2H3
InChIKeyFBSIGACTIMUGCA-UHFFFAOYSA-N
MW301.55 g/mol
LogP3.90
Rot. Bonds6

About N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 113299739) has the molecular formula C14H23NS3 and a molecular weight of 301.55 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
PubChem CID113299739
Molecular FormulaC14H23NS3
Molecular Weight301.55 g/mol
Exact Mass301.10
IUPAC NameN-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1SCCSC1CC
InChIInChI=1S/C14H23NS3/c1-3-13-14(18-8-7-17-13)12(15-4-2)9-11-5-6-16-10-11/h5-6,10,12-15H,3-4,7-9H2,1-2H3
InChIKeyFBSIGACTIMUGCA-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387941
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
1-(3-ethyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 113299434
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387938
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 81098396
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
CID 115386492
1-(3-ethyl-1,4-dithian-2-yl)-2-(4-iodophenyl)-N-methylethanamine
CID 115387699
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388091
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137509
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine (CID 113299739) is N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1SCCSC1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is FBSIGACTIMUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS3/c1-3-13-14(18-8-7-17-13)12(15-4-2)9-11-5-6-16-10-11/h5-6,10,12-15H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 301.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 113299739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).