3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol

C9H15NO3S — CID 66175713

IUPAC3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
SMILESOCC(O)CNCC(O)c1cccs1
InChIInChI=1S/C9H15NO3S/c11-6-7(12)4-10-5-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2
InChIKeyVYCMVKMDBKZQEL-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.28
Rot. Bonds6

About 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol (PubChem CID 66175713) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
PubChem CID66175713
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
SMILESOCC(O)CNCC(O)c1cccs1
InChIInChI=1S/C9H15NO3S/c11-6-7(12)4-10-5-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2
InChIKeyVYCMVKMDBKZQEL-UHFFFAOYSA-N
XLogP-0.28
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
CID 114164876
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol (CID 66175713) is 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol is OCC(O)CNCC(O)c1cccs1.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol?
The InChIKey is VYCMVKMDBKZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-6-7(12)4-10-5-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2.
What are the key properties of 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol?
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol has a molecular weight of 217.29 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol is sourced from PubChem (CID 66175713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).