N'-(2-methylthiophen-3-yl)ethane-1,2-diamine

C7H12N2S — CID 102837200

IUPACN'-(2-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCc1sccc1NCCN
InChIInChI=1S/C7H12N2S/c1-6-7(2-5-10-6)9-4-3-8/h2,5,9H,3-4,8H2,1H3
InChIKeyGYCQYRXEWYHRGA-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.43
Rot. Bonds3

About N'-(2-methylthiophen-3-yl)ethane-1,2-diamine

N'-(2-methylthiophen-3-yl)ethane-1,2-diamine (PubChem CID 102837200) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N'-(2-methylthiophen-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylthiophen-3-yl)ethane-1,2-diamine
PubChem CID102837200
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN'-(2-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCc1sccc1NCCN
InChIInChI=1S/C7H12N2S/c1-6-7(2-5-10-6)9-4-3-8/h2,5,9H,3-4,8H2,1H3
InChIKeyGYCQYRXEWYHRGA-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylthiophen-3-yl)ethane-1,2-diamine (CID 102837200) is N'-(2-methylthiophen-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylthiophen-3-yl)ethane-1,2-diamine is Cc1sccc1NCCN.
What is the InChIKey of N'-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The InChIKey is GYCQYRXEWYHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6-7(2-5-10-6)9-4-3-8/h2,5,9H,3-4,8H2,1H3.
What are the key properties of N'-(2-methylthiophen-3-yl)ethane-1,2-diamine?
N'-(2-methylthiophen-3-yl)ethane-1,2-diamine has a molecular weight of 156.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylthiophen-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 102837200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).