1-N'-thiophen-2-ylethane-1,1-diamine

C6H10N2S — CID 19814888

IUPAC1-N'-thiophen-2-ylethane-1,1-diamine
SMILESCC(N)Nc1cccs1
InChIInChI=1S/C6H10N2S/c1-5(7)8-6-3-2-4-9-6/h2-5,8H,7H2,1H3
InChIKeyDZHVPVXYLOVKEL-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.46
Rot. Bonds2

About 1-N'-thiophen-2-ylethane-1,1-diamine

1-N'-thiophen-2-ylethane-1,1-diamine (PubChem CID 19814888) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-N'-thiophen-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-thiophen-2-ylethane-1,1-diamine
PubChem CID19814888
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-N'-thiophen-2-ylethane-1,1-diamine
SMILESCC(N)Nc1cccs1
InChIInChI=1S/C6H10N2S/c1-5(7)8-6-3-2-4-9-6/h2-5,8H,7H2,1H3
InChIKeyDZHVPVXYLOVKEL-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N'-thiophen-2-ylethane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-thiophen-2-ylethane-1,1-diamine?
The IUPAC name of 1-N'-thiophen-2-ylethane-1,1-diamine (CID 19814888) is 1-N'-thiophen-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-thiophen-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-thiophen-2-ylethane-1,1-diamine is CC(N)Nc1cccs1.
What is the InChIKey of 1-N'-thiophen-2-ylethane-1,1-diamine?
The InChIKey is DZHVPVXYLOVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(7)8-6-3-2-4-9-6/h2-5,8H,7H2,1H3.
What are the key properties of 1-N'-thiophen-2-ylethane-1,1-diamine?
1-N'-thiophen-2-ylethane-1,1-diamine has a molecular weight of 142.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-thiophen-2-ylethane-1,1-diamine is sourced from PubChem (CID 19814888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).