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

C9H15NO3S — CID 65314705

IUPAC2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
SMILESOCC(CO)NCC(O)c1cccs1
InChIInChI=1S/C9H15NO3S/c11-5-7(6-12)10-4-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2
InChIKeyRTAVLTWTXGTSNJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.28
Rot. Bonds6

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

2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol (PubChem CID 65314705) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
PubChem CID65314705
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
SMILESOCC(CO)NCC(O)c1cccs1
InChIInChI=1S/C9H15NO3S/c11-5-7(6-12)10-4-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2
InChIKeyRTAVLTWTXGTSNJ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol
CID 62518997
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
2-(hex-1-yn-3-ylamino)-1-thiophen-2-ylethanol
CID 106229852
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
CID 113407006
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2-bromo-1-thiophen-2-ylethanol
CID 22324999

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol (CID 65314705) is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol is OCC(CO)NCC(O)c1cccs1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol?
The InChIKey is RTAVLTWTXGTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-5-7(6-12)10-4-8(13)9-2-1-3-14-9/h1-3,7-8,10-13H,4-6H2.
What are the key properties of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol?
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-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 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol is sourced from PubChem (CID 65314705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).