3-N-methylthiophene-3,4-diamine

C5H8N2S — CID 55284962

IUPAC3-N-methylthiophene-3,4-diamine
SMILESCNc1cscc1N
InChIInChI=1S/C5H8N2S/c1-7-5-3-8-2-4(5)6/h2-3,7H,6H2,1H3
InChIKeyPYWDSZMEVCOBGD-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.37
Rot. Bonds1

About 3-N-methylthiophene-3,4-diamine

3-N-methylthiophene-3,4-diamine (PubChem CID 55284962) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-N-methylthiophene-3,4-diamine.

Molecular Properties

Compound Name3-N-methylthiophene-3,4-diamine
PubChem CID55284962
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name3-N-methylthiophene-3,4-diamine
SMILESCNc1cscc1N
InChIInChI=1S/C5H8N2S/c1-7-5-3-8-2-4(5)6/h2-3,7H,6H2,1H3
InChIKeyPYWDSZMEVCOBGD-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-5-methylsulfanylthiophen-3-amine
CID 166774762
N-methylthiophen-3-amine
CID 642344
Methyl-thiophen-3-yl-ammonium chloride
CID 52987608
Methyl(thiophen-3-yl)azanium
CID 21602786
Dimethyl(thiophen-3-yl)azanium
CID 21602790
3-N,4-N-dimethylthiophene-3,4-diamine
CID 13586585
N-ethylthiophen-3-amine
CID 13586586
3-N,3-N,4-N,4-N-tetramethylthiophene-3,4-diamine
CID 13586606
3-N,3-N,4-N,4-N-tetraethylthiophene-3,4-diamine
CID 13586608
N2-Methylthiophene-2,3-diamine
CID 20200442
N-methylthiophen-3-amine hydrochloride
CID 21218568
N-Propylthiophen-3-amine
CID 22669117

Frequently Asked Questions

What is the IUPAC name of 3-N-methylthiophene-3,4-diamine?
The IUPAC name of 3-N-methylthiophene-3,4-diamine (CID 55284962) is 3-N-methylthiophene-3,4-diamine.
What is the SMILES notation for 3-N-methylthiophene-3,4-diamine?
The canonical SMILES for 3-N-methylthiophene-3,4-diamine is CNc1cscc1N.
What is the InChIKey of 3-N-methylthiophene-3,4-diamine?
The InChIKey is PYWDSZMEVCOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-7-5-3-8-2-4(5)6/h2-3,7H,6H2,1H3.
What are the key properties of 3-N-methylthiophene-3,4-diamine?
3-N-methylthiophene-3,4-diamine has a molecular weight of 128.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methylthiophene-3,4-diamine is sourced from PubChem (CID 55284962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).