thiophen-3-ylmethanamine;dihydrochloride

C5H9Cl2NS — CID 21114568

IUPACthiophen-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccsc1
InChIInChI=1S/C5H7NS.2ClH/c6-3-5-1-2-7-4-5;;/h1-2,4H,3,6H2;2*1H
InChIKeyNJHGYGLISNYPSZ-UHFFFAOYSA-N
MW186.11 g/mol
LogP2.05
Rot. Bonds1

About thiophen-3-ylmethanamine;dihydrochloride

thiophen-3-ylmethanamine;dihydrochloride (PubChem CID 21114568) has the molecular formula C5H9Cl2NS and a molecular weight of 186.11 g/mol. Its IUPAC name is thiophen-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Namethiophen-3-ylmethanamine;dihydrochloride
PubChem CID21114568
Molecular FormulaC5H9Cl2NS
Molecular Weight186.11 g/mol
Exact Mass184.98
IUPAC Namethiophen-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccsc1
InChIInChI=1S/C5H7NS.2ClH/c6-3-5-1-2-7-4-5;;/h1-2,4H,3,6H2;2*1H
InChIKeyNJHGYGLISNYPSZ-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
CID 142969768
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
3-(2,2-dibromoethyl)thiophene
CID 174416053
3-(isocyanomethyl)thiophene
CID 4536058
azane;3-propylthiophene
CID 174446539
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61368603

Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylmethanamine;dihydrochloride?
The IUPAC name of thiophen-3-ylmethanamine;dihydrochloride (CID 21114568) is thiophen-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for thiophen-3-ylmethanamine;dihydrochloride?
The canonical SMILES for thiophen-3-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ccsc1.
What is the InChIKey of thiophen-3-ylmethanamine;dihydrochloride?
The InChIKey is NJHGYGLISNYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.2ClH/c6-3-5-1-2-7-4-5;;/h1-2,4H,3,6H2;2*1H.
What are the key properties of thiophen-3-ylmethanamine;dihydrochloride?
thiophen-3-ylmethanamine;dihydrochloride has a molecular weight of 186.11 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 21114568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).