N-(dithiophen-2-ylmethyl)-2-methoxyethanamine

C12H15NOS2 — CID 43756292

IUPACN-(dithiophen-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNC(c1cccs1)c1cccs1
InChIInChI=1S/C12H15NOS2/c1-14-7-6-13-12(10-4-2-8-15-10)11-5-3-9-16-11/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyLJKBOPDOEAURSS-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.13
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-2-methoxyethanamine

N-(dithiophen-2-ylmethyl)-2-methoxyethanamine (PubChem CID 43756292) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-methoxyethanamine
PubChem CID43756292
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC NameN-(dithiophen-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNC(c1cccs1)c1cccs1
InChIInChI=1S/C12H15NOS2/c1-14-7-6-13-12(10-4-2-8-15-10)11-5-3-9-16-11/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyLJKBOPDOEAURSS-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843433
2-[(3-methoxypropylamino)-thiophen-2-ylmethyl]benzenethiol
CID 163239844
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60816965
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
CID 62844478
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-methoxyethanamine (CID 43756292) is N-(dithiophen-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-methoxyethanamine is COCCNC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is LJKBOPDOEAURSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-14-7-6-13-12(10-4-2-8-15-10)11-5-3-9-16-11/h2-5,8-9,12-13H,6-7H2,1H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-methoxyethanamine?
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.13, 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-methoxyethanamine is sourced from PubChem (CID 43756292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).