1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

C14H20N2S2 — CID 79475669

IUPAC1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccsc1)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2S2/c1-11(15)14(12-6-9-17-10-12)16(2)7-5-13-4-3-8-18-13/h3-4,6,8-11,14H,5,7,15H2,1-2H3
InChIKeyWFTRICMILOPFRX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.37
Rot. Bonds6

About 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (PubChem CID 79475669) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
PubChem CID79475669
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccsc1)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2S2/c1-11(15)14(12-6-9-17-10-12)16(2)7-5-13-4-3-8-18-13/h3-4,6,8-11,14H,5,7,15H2,1-2H3
InChIKeyWFTRICMILOPFRX-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888
1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
CID 62335508
1-(4-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472689
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-N-methyl-1-(3-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472042
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
1-N-methyl-1-(2-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472040
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
CID 63983723
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021914

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (CID 79475669) is 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is CC(N)C(c1ccsc1)N(C)CCc1cccs1.
What is the InChIKey of 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The InChIKey is WFTRICMILOPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-11(15)14(12-6-9-17-10-12)16(2)7-5-13-4-3-8-18-13/h3-4,6,8-11,14H,5,7,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 79475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).