N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine

C13H17NO2S2 — CID 60816965

IUPACN-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1cccs1)c1cccs1)OC
InChIInChI=1S/C13H17NO2S2/c1-15-12(16-2)9-14-13(10-5-3-7-17-10)11-6-4-8-18-11/h3-8,12-14H,9H2,1-2H3
InChIKeyGMMCCUVVOLSLND-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.11
Rot. Bonds7

About N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine

N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine (PubChem CID 60816965) has the molecular formula C13H17NO2S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
PubChem CID60816965
Molecular FormulaC13H17NO2S2
Molecular Weight283.42 g/mol
Exact Mass283.07
IUPAC NameN-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1cccs1)c1cccs1)OC
InChIInChI=1S/C13H17NO2S2/c1-15-12(16-2)9-14-13(10-5-3-7-17-10)11-6-4-8-18-11/h3-8,12-14H,9H2,1-2H3
InChIKeyGMMCCUVVOLSLND-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843433
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 106434757
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
1-methoxy-N-methyl-1-thiophen-2-ylmethanamine
CID 116961428
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine (CID 60816965) is N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine is COC(CNC(c1cccs1)c1cccs1)OC.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine?
The InChIKey is GMMCCUVVOLSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S2/c1-15-12(16-2)9-14-13(10-5-3-7-17-10)11-6-4-8-18-11/h3-8,12-14H,9H2,1-2H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine?
N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 60816965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).