1-thiophen-3-ylethane-1,2-diamine

C6H10N2S — CID 43519541

IUPAC1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(N)c1ccsc1
InChIInChI=1S/C6H10N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,3,7-8H2
InChIKeyRRFUOXJLEVCVSO-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.71
Rot. Bonds2

About 1-thiophen-3-ylethane-1,2-diamine

1-thiophen-3-ylethane-1,2-diamine (PubChem CID 43519541) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-thiophen-3-ylethane-1,2-diamine
PubChem CID43519541
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(N)c1ccsc1
InChIInChI=1S/C6H10N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,3,7-8H2
InChIKeyRRFUOXJLEVCVSO-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of 1-thiophen-3-ylethane-1,2-diamine (CID 43519541) is 1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for 1-thiophen-3-ylethane-1,2-diamine is NCC(N)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is RRFUOXJLEVCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,3,7-8H2.
What are the key properties of 1-thiophen-3-ylethane-1,2-diamine?
1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 142.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 43519541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).