methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride

C8H12ClNO2S — CID 71757716

IUPACmethyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(CN)s1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-6-2-3-7(5-9)12-6;/h2-3H,4-5,9H2,1H3;1H
InChIKeyNYMGUCJLWOBHGU-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.34
Rot. Bonds3

About methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride

methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride (PubChem CID 71757716) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride
PubChem CID71757716
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Namemethyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(CN)s1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-6-2-3-7(5-9)12-6;/h2-3H,4-5,9H2,1H3;1H
InChIKeyNYMGUCJLWOBHGU-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride (CID 71757716) is methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride is COC(=O)Cc1ccc(CN)s1.Cl.
What is the InChIKey of methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride?
The InChIKey is NYMGUCJLWOBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-11-8(10)4-6-2-3-7(5-9)12-6;/h2-3H,4-5,9H2,1H3;1H.
What are the key properties of methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride?
methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate;hydrochloride is sourced from PubChem (CID 71757716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).