2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride

C9H14ClNO2S — CID 52998113

IUPAC2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)c1cccs1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-10(2)5-6-12-9(11)8-4-3-7-13-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyLOXFWEOFWHHBPT-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.89
Rot. Bonds4

About 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride

2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride (PubChem CID 52998113) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
PubChem CID52998113
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)c1cccs1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-10(2)5-6-12-9(11)8-4-3-7-13-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyLOXFWEOFWHHBPT-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
3-(dibutylamino)propyl thiophene-2-carboxylate;hydrochloride
CID 3032008
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
heptyl thiophene-2-carboxylate
CID 574115
aminomethyl thiophene-2-carboxylate
CID 142796710
4-(2-methylprop-2-enoyloxy)butyl thiophene-2-carboxylate
CID 21182205
[1-[3-(dimethylamino)propyl]cyclododecyl] thiophene-2-carboxylate;hydrochloride
CID 163526952
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
4-cyanobutyl thiophene-2-carboxylate
CID 132538634
ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate
CID 7328271
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 46860302

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride (CID 52998113) is 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride is CN(C)CCOC(=O)c1cccs1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride?
The InChIKey is LOXFWEOFWHHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-10(2)5-6-12-9(11)8-4-3-7-13-8;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride?
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 52998113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).