N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride

C10H14ClNS2 — CID 155978014

IUPACN-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2sccc2s1.Cl
InChIInChI=1S/C10H13NS2.ClH/c1-7(11-2)5-8-6-10-9(13-8)3-4-12-10;/h3-4,6-7,11H,5H2,1-2H3;1H
InChIKeyFECFYYAPIPJTGF-UHFFFAOYSA-N
MW247.82 g/mol
LogP3.54
Rot. Bonds3

About N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride

N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride (PubChem CID 155978014) has the molecular formula C10H14ClNS2 and a molecular weight of 247.82 g/mol. Its IUPAC name is N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride
PubChem CID155978014
Molecular FormulaC10H14ClNS2
Molecular Weight247.82 g/mol
Exact Mass247.03
IUPAC NameN-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2sccc2s1.Cl
InChIInChI=1S/C10H13NS2.ClH/c1-7(11-2)5-8-6-10-9(13-8)3-4-12-10;/h3-4,6-7,11H,5H2,1-2H3;1H
InChIKeyFECFYYAPIPJTGF-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride (CID 155978014) is N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride is CNC(C)Cc1cc2sccc2s1.Cl.
What is the InChIKey of N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride?
The InChIKey is FECFYYAPIPJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2.ClH/c1-7(11-2)5-8-6-10-9(13-8)3-4-12-10;/h3-4,6-7,11H,5H2,1-2H3;1H.
What are the key properties of N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride?
N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride has a molecular weight of 247.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 155978014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).