1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride

C9H14ClNO2S — CID 170874996

IUPAC1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(N)CCO)s1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-6(12)8-2-3-9(13-8)7(10)4-5-11;/h2-3,7,11H,4-5,10H2,1H3;1H
InChIKeyGQASUIWEYAKMHV-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.75
Rot. Bonds4

About 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride

1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride (PubChem CID 170874996) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride
PubChem CID170874996
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(N)CCO)s1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-6(12)8-2-3-9(13-8)7(10)4-5-11;/h2-3,7,11H,4-5,10H2,1H3;1H
InChIKeyGQASUIWEYAKMHV-UHFFFAOYSA-N
XLogP1.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
(3S)-3-amino-3-(5-fluorothiophen-2-yl)propan-1-ol
CID 130898203
5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
CID 130634208
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
CID 55270481
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
ethyl 2-(5-acetylthiophen-2-yl)butanoate
CID 169140041
S-[4-(5-acetylthiophen-2-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171875497
3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
CID 170875141
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride (CID 170874996) is 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride is CC(=O)c1ccc(C(N)CCO)s1.Cl.
What is the InChIKey of 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride?
The InChIKey is GQASUIWEYAKMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-6(12)8-2-3-9(13-8)7(10)4-5-11;/h2-3,7,11H,4-5,10H2,1H3;1H.
What are the key properties of 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride?
1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 170874996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).