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

C14H22N2S2 — CID 115387062

IUPACN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)C1SCCSC1C
InChIInChI=1S/C14H22N2S2/c1-3-15-13(10-12-6-4-5-7-16-12)14-11(2)17-8-9-18-14/h4-7,11,13-15H,3,8-10H2,1-2H3
InChIKeyGUBFUOXAYYTKMO-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.84
Rot. Bonds5

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

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine (PubChem CID 115387062) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
PubChem CID115387062
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)C1SCCSC1C
InChIInChI=1S/C14H22N2S2/c1-3-15-13(10-12-6-4-5-7-16-12)14-11(2)17-8-9-18-14/h4-7,11,13-15H,3,8-10H2,1-2H3
InChIKeyGUBFUOXAYYTKMO-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 83183374
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387151
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115387152
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine (CID 115387062) is N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine is CCNC(Cc1ccccn1)C1SCCSC1C.
What is the InChIKey of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine?
The InChIKey is GUBFUOXAYYTKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-3-15-13(10-12-6-4-5-7-16-12)14-11(2)17-8-9-18-14/h4-7,11,13-15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine?
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine has a molecular weight of 282.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115387062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).