N-ethyl-1,2-dithiophen-2-ylethanamine

C12H15NS2 — CID 43755169

IUPACN-ethyl-1,2-dithiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h3-8,11,13H,2,9H2,1H3
InChIKeyBMKFDJLOSLDWBV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.70
Rot. Bonds5

About N-ethyl-1,2-dithiophen-2-ylethanamine

N-ethyl-1,2-dithiophen-2-ylethanamine (PubChem CID 43755169) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1,2-dithiophen-2-ylethanamine
PubChem CID43755169
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC NameN-ethyl-1,2-dithiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h3-8,11,13H,2,9H2,1H3
InChIKeyBMKFDJLOSLDWBV-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
CID 115724259
(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1,2-dithiophen-2-ylethanamine (CID 43755169) is N-ethyl-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1,2-dithiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cccs1.
What is the InChIKey of N-ethyl-1,2-dithiophen-2-ylethanamine?
The InChIKey is BMKFDJLOSLDWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h3-8,11,13H,2,9H2,1H3.
What are the key properties of N-ethyl-1,2-dithiophen-2-ylethanamine?
N-ethyl-1,2-dithiophen-2-ylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 43755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).