thiophen-2-ylmethylazanium

C5H8NS+ — CID 5167853

IUPACthiophen-2-ylmethylazanium
SMILES[NH3+]Cc1cccs1
InChIInChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1
InChIKeyFKKJJPMGAWGYPN-UHFFFAOYSA-O
MW114.19 g/mol
LogP0.49
Rot. Bonds1

About thiophen-2-ylmethylazanium

thiophen-2-ylmethylazanium (PubChem CID 5167853) has the molecular formula C5H8NS+ and a molecular weight of 114.19 g/mol. Its IUPAC name is thiophen-2-ylmethylazanium.

Molecular Properties

Compound Namethiophen-2-ylmethylazanium
PubChem CID5167853
Molecular FormulaC5H8NS+
Molecular Weight114.19 g/mol
Exact Mass114.04
IUPAC Namethiophen-2-ylmethylazanium
SMILES[NH3+]Cc1cccs1
InChIInChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1
InChIKeyFKKJJPMGAWGYPN-UHFFFAOYSA-O
XLogP0.49
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiophenecarbothioamide
CID 737237
Thiopheneethanamine
CID 116521
Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
1-(Thiophen-2-yl)propan-2-amine hydrochloride
CID 12280954
1-(2,2'-Bithiophen-5-yl)methanamine
CID 2776424
(2-Thienylmethyl)amine
CID 34005
N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
1-(Thiophen-2-ylmethyl)guanidine
CID 4345279
1-(2-Thienyl)-1-aminoethane
CID 238233
Bis((thiophen-2-yl)methyl)amine
CID 252453
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethylazanium?
The IUPAC name of thiophen-2-ylmethylazanium (CID 5167853) is thiophen-2-ylmethylazanium.
What is the SMILES notation for thiophen-2-ylmethylazanium?
The canonical SMILES for thiophen-2-ylmethylazanium is [NH3+]Cc1cccs1.
What is the InChIKey of thiophen-2-ylmethylazanium?
The InChIKey is FKKJJPMGAWGYPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1.
What are the key properties of thiophen-2-ylmethylazanium?
thiophen-2-ylmethylazanium has a molecular weight of 114.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethylazanium is sourced from PubChem (CID 5167853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).