4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol

C7H11NO2S — CID 130706826

IUPAC4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
SMILESN[C@H](CCO)c1cscc1O
InChIInChI=1S/C7H11NO2S/c8-6(1-2-9)5-3-11-4-7(5)10/h3-4,6,9-10H,1-2,8H2/t6-/m1/s1
InChIKeyGRRTYZUBPGQFSD-ZCFIWIBFSA-N
MW173.24 g/mol
LogP0.84
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol

4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol (PubChem CID 130706826) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
PubChem CID130706826
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
SMILESN[C@H](CCO)c1cscc1O
InChIInChI=1S/C7H11NO2S/c8-6(1-2-9)5-3-11-4-7(5)10/h3-4,6,9-10H,1-2,8H2/t6-/m1/s1
InChIKeyGRRTYZUBPGQFSD-ZCFIWIBFSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(4-fluorothiophen-3-yl)propan-1-ol
CID 130642237
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
4-[(1S)-1-amino-3-hydroxypropyl]furan-3-ol
CID 130664913
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
2-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
CID 131146182
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol (CID 130706826) is 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol is N[C@H](CCO)c1cscc1O.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol?
The InChIKey is GRRTYZUBPGQFSD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2S/c8-6(1-2-9)5-3-11-4-7(5)10/h3-4,6,9-10H,1-2,8H2/t6-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol?
4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol has a molecular weight of 173.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol is sourced from PubChem (CID 130706826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).