N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine

C16H16N2S2 — CID 43769483

IUPACN-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
SMILESc1cncc(CNC(Cc2cccs2)c2cccs2)c1
InChIInChI=1S/C16H16N2S2/c1-4-13(11-17-7-1)12-18-15(16-6-3-9-20-16)10-14-5-2-8-19-14/h1-9,11,15,18H,10,12H2
InChIKeyLVGCQSLFRMUXSA-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.28
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine

N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine (PubChem CID 43769483) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
PubChem CID43769483
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
SMILESc1cncc(CNC(Cc2cccs2)c2cccs2)c1
InChIInChI=1S/C16H16N2S2/c1-4-13(11-17-7-1)12-18-15(16-6-3-9-20-16)10-14-5-2-8-19-14/h1-9,11,15,18H,10,12H2
InChIKeyLVGCQSLFRMUXSA-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 103787056
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447
N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
(1-pyridin-3-yl-5-thiophen-2-ylpentan-2-yl)hydrazine
CID 105333745
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-amine
CID 105179968

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine (CID 43769483) is N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine is c1cncc(CNC(Cc2cccs2)c2cccs2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The InChIKey is LVGCQSLFRMUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-4-13(11-17-7-1)12-18-15(16-6-3-9-20-16)10-14-5-2-8-19-14/h1-9,11,15,18H,10,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine has a molecular weight of 300.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 43769483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).