3-thiophen-2-ylprop-2-ene-1,2-diamine

C7H10N2S — CID 163408563

IUPAC3-thiophen-2-ylprop-2-ene-1,2-diamine
SMILESNCC(N)=Cc1cccs1
InChIInChI=1S/C7H10N2S/c8-5-6(9)4-7-2-1-3-10-7/h1-4H,5,8-9H2
InChIKeyWFLLEGJOWOVAOH-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.01
Rot. Bonds2

About 3-thiophen-2-ylprop-2-ene-1,2-diamine

3-thiophen-2-ylprop-2-ene-1,2-diamine (PubChem CID 163408563) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-thiophen-2-ylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name3-thiophen-2-ylprop-2-ene-1,2-diamine
PubChem CID163408563
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-thiophen-2-ylprop-2-ene-1,2-diamine
SMILESNCC(N)=Cc1cccs1
InChIInChI=1S/C7H10N2S/c8-5-6(9)4-7-2-1-3-10-7/h1-4H,5,8-9H2
InChIKeyWFLLEGJOWOVAOH-UHFFFAOYSA-N
XLogP1.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-2-fluoro-3-thiophen-2-ylprop-2-en-1-ol
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(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
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2-(thiophen-2-ylmethylidene)butanal
CID 79001686
(E)-2-thiophen-2-ylethenol
CID 89297537
(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
CID 11415071
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
2-[(E)-2-isocyanobut-1-enyl]thiophene
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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylprop-2-ene-1,2-diamine?
The IUPAC name of 3-thiophen-2-ylprop-2-ene-1,2-diamine (CID 163408563) is 3-thiophen-2-ylprop-2-ene-1,2-diamine.
What is the SMILES notation for 3-thiophen-2-ylprop-2-ene-1,2-diamine?
The canonical SMILES for 3-thiophen-2-ylprop-2-ene-1,2-diamine is NCC(N)=Cc1cccs1.
What is the InChIKey of 3-thiophen-2-ylprop-2-ene-1,2-diamine?
The InChIKey is WFLLEGJOWOVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-5-6(9)4-7-2-1-3-10-7/h1-4H,5,8-9H2.
What are the key properties of 3-thiophen-2-ylprop-2-ene-1,2-diamine?
3-thiophen-2-ylprop-2-ene-1,2-diamine has a molecular weight of 154.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylprop-2-ene-1,2-diamine is sourced from PubChem (CID 163408563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).