2-(1,2-dithiophen-2-ylethylamino)propanamide

C13H16N2OS2 — CID 43777142

IUPAC2-(1,2-dithiophen-2-ylethylamino)propanamide
SMILESCC(NC(Cc1cccs1)c1cccs1)C(N)=O
InChIInChI=1S/C13H16N2OS2/c1-9(13(14)16)15-11(12-5-3-7-18-12)8-10-4-2-6-17-10/h2-7,9,11,15H,8H2,1H3,(H2,14,16)
InChIKeyIEIWVMIKPVHLCI-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.56
Rot. Bonds6

About 2-(1,2-dithiophen-2-ylethylamino)propanamide

2-(1,2-dithiophen-2-ylethylamino)propanamide (PubChem CID 43777142) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1,2-dithiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound Name2-(1,2-dithiophen-2-ylethylamino)propanamide
PubChem CID43777142
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(1,2-dithiophen-2-ylethylamino)propanamide
SMILESCC(NC(Cc1cccs1)c1cccs1)C(N)=O
InChIInChI=1S/C13H16N2OS2/c1-9(13(14)16)15-11(12-5-3-7-18-12)8-10-4-2-6-17-10/h2-7,9,11,15H,8H2,1H3,(H2,14,16)
InChIKeyIEIWVMIKPVHLCI-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide
CID 150817803
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dithiophen-2-ylethylamino)propanamide?
The IUPAC name of 2-(1,2-dithiophen-2-ylethylamino)propanamide (CID 43777142) is 2-(1,2-dithiophen-2-ylethylamino)propanamide.
What is the SMILES notation for 2-(1,2-dithiophen-2-ylethylamino)propanamide?
The canonical SMILES for 2-(1,2-dithiophen-2-ylethylamino)propanamide is CC(NC(Cc1cccs1)c1cccs1)C(N)=O.
What is the InChIKey of 2-(1,2-dithiophen-2-ylethylamino)propanamide?
The InChIKey is IEIWVMIKPVHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9(13(14)16)15-11(12-5-3-7-18-12)8-10-4-2-6-17-10/h2-7,9,11,15H,8H2,1H3,(H2,14,16).
What are the key properties of 2-(1,2-dithiophen-2-ylethylamino)propanamide?
2-(1,2-dithiophen-2-ylethylamino)propanamide has a molecular weight of 280.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dithiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 43777142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).