(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol

C15H23NO2S — CID 97321907

IUPAC(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
SMILESC[C@H](OC[C@@H](O)CN[C@@H]1CCSC1)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(13-5-3-2-4-6-13)18-10-15(17)9-16-14-7-8-19-11-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15-/m0/s1
InChIKeyGQXXQJCSXXCRAA-CFVMTHIKSA-N
MW281.42 g/mol
LogP2.22
Rot. Bonds7

About (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol

(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol (PubChem CID 97321907) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
PubChem CID97321907
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
SMILESC[C@H](OC[C@@H](O)CN[C@@H]1CCSC1)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(13-5-3-2-4-6-13)18-10-15(17)9-16-14-7-8-19-11-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15-/m0/s1
InChIKeyGQXXQJCSXXCRAA-CFVMTHIKSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
2-[2-hydroxy-3-(thiolan-3-ylamino)propoxy]benzonitrile
CID 103062924
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol (CID 97321907) is (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol is C[C@H](OC[C@@H](O)CN[C@@H]1CCSC1)c1ccccc1.
What is the InChIKey of (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol?
The InChIKey is GQXXQJCSXXCRAA-CFVMTHIKSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(13-5-3-2-4-6-13)18-10-15(17)9-16-14-7-8-19-11-14/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15-/m0/s1.
What are the key properties of (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol?
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol has a molecular weight of 281.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol is sourced from PubChem (CID 97321907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).