N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine

C17H19NS3 — CID 43783115

IUPACN-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C17H19NS3/c1-13(11-14-5-2-8-19-14)18-16(17-7-4-10-21-17)12-15-6-3-9-20-15/h2-10,13,16,18H,11-12H2,1H3
InChIKeyCOXQKUITSXAFJC-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.38
Rot. Bonds7

About N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 43783115) has the molecular formula C17H19NS3 and a molecular weight of 333.55 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
PubChem CID43783115
Molecular FormulaC17H19NS3
Molecular Weight333.55 g/mol
Exact Mass333.07
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C17H19NS3/c1-13(11-14-5-2-8-19-14)18-16(17-7-4-10-21-17)12-15-6-3-9-20-15/h2-10,13,16,18H,11-12H2,1H3
InChIKeyCOXQKUITSXAFJC-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
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
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine (CID 43783115) is N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NC(Cc1cccs1)c1cccs1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is COXQKUITSXAFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS3/c1-13(11-14-5-2-8-19-14)18-16(17-7-4-10-21-17)12-15-6-3-9-20-15/h2-10,13,16,18H,11-12H2,1H3.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine?
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 333.55 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43783115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).