4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol

C13H19NO2S — CID 99830890

IUPAC4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
SMILESOC[C@H](Cc1ccc(O)cc1)N[C@@H]1CCSC1
InChIInChI=1S/C13H19NO2S/c15-8-12(14-11-5-6-17-9-11)7-10-1-3-13(16)4-2-10/h1-4,11-12,14-16H,5-9H2/t11-,12+/m1/s1
InChIKeyOQNDNUHTSOGSRP-NEPJUHHUSA-N
MW253.37 g/mol
LogP1.39
Rot. Bonds5

About 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol

4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol (PubChem CID 99830890) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
PubChem CID99830890
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
SMILESOC[C@H](Cc1ccc(O)cc1)N[C@@H]1CCSC1
InChIInChI=1S/C13H19NO2S/c15-8-12(14-11-5-6-17-9-11)7-10-1-3-13(16)4-2-10/h1-4,11-12,14-16H,5-9H2/t11-,12+/m1/s1
InChIKeyOQNDNUHTSOGSRP-NEPJUHHUSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol 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

(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
4-[phenyl-(thiolan-3-ylamino)methyl]phenol
CID 103603296
4-[3-hydroxy-2-(iodoamino)propyl]phenol
CID 88639035
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
2-[(4,4-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79948114

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol?
The IUPAC name of 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol (CID 99830890) is 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol.
What is the SMILES notation for 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol?
The canonical SMILES for 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol is OC[C@H](Cc1ccc(O)cc1)N[C@@H]1CCSC1.
What is the InChIKey of 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol?
The InChIKey is OQNDNUHTSOGSRP-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-8-12(14-11-5-6-17-9-11)7-10-1-3-13(16)4-2-10/h1-4,11-12,14-16H,5-9H2/t11-,12+/m1/s1.
What are the key properties of 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol?
4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol has a molecular weight of 253.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol is sourced from PubChem (CID 99830890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).