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

C6H10N2S — CID 54066601

IUPACN'-thiophen-2-ylethane-1,2-diamine
SMILESNCCNc1cccs1
InChIInChI=1S/C6H10N2S/c7-3-4-8-6-2-1-5-9-6/h1-2,5,8H,3-4,7H2
InChIKeyDHUHJVCOEKBDEE-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.12
Rot. Bonds3

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

N'-thiophen-2-ylethane-1,2-diamine (PubChem CID 54066601) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is N'-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-thiophen-2-ylethane-1,2-diamine
PubChem CID54066601
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC NameN'-thiophen-2-ylethane-1,2-diamine
SMILESNCCNc1cccs1
InChIInChI=1S/C6H10N2S/c7-3-4-8-6-2-1-5-9-6/h1-2,5,8H,3-4,7H2
InChIKeyDHUHJVCOEKBDEE-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-thiophen-2-ylethane-1,2-diamine (CID 54066601) is N'-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-thiophen-2-ylethane-1,2-diamine is NCCNc1cccs1.
What is the InChIKey of N'-thiophen-2-ylethane-1,2-diamine?
The InChIKey is DHUHJVCOEKBDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-3-4-8-6-2-1-5-9-6/h1-2,5,8H,3-4,7H2.
What are the key properties of N'-thiophen-2-ylethane-1,2-diamine?
N'-thiophen-2-ylethane-1,2-diamine has a molecular weight of 142.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 54066601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).