3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride

C9H12ClNO3S — CID 142792123

IUPAC3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1sccc1N1CCOCC1
InChIInChI=1S/C9H11NO3S.ClH/c11-9(12)8-7(1-6-14-8)10-2-4-13-5-3-10;/h1,6H,2-5H2,(H,11,12);1H
InChIKeyQJRNUSNNQJQRQH-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.70
Rot. Bonds2

About 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride

3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride (PubChem CID 142792123) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
PubChem CID142792123
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1sccc1N1CCOCC1
InChIInChI=1S/C9H11NO3S.ClH/c11-9(12)8-7(1-6-14-8)10-2-4-13-5-3-10;/h1,6H,2-5H2,(H,11,12);1H
InChIKeyQJRNUSNNQJQRQH-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 102110185
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 17221141
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
3-(1,3-dioxoisoindol-2-yl)thiophene-2-carboxylic acid
CID 16785265
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 103499573
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride (CID 142792123) is 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1sccc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The InChIKey is QJRNUSNNQJQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S.ClH/c11-9(12)8-7(1-6-14-8)10-2-4-13-5-3-10;/h1,6H,2-5H2,(H,11,12);1H.
What are the key properties of 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride?
3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride has a molecular weight of 249.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 142792123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).