(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol

C9H15NO2S — CID 106435263

IUPAC(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
SMILESC[C@H](O)CNCC(O)c1ccsc1
InChIInChI=1S/C9H15NO2S/c1-7(11)4-10-5-9(12)8-2-3-13-6-8/h2-3,6-7,9-12H,4-5H2,1H3/t7-,9?/m0/s1
InChIKeyGYNGTTWHVOWZKK-JAVCKPHESA-N
MW201.29 g/mol
LogP0.75
Rot. Bonds5

About (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol

(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol (PubChem CID 106435263) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
PubChem CID106435263
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
SMILESC[C@H](O)CNCC(O)c1ccsc1
InChIInChI=1S/C9H15NO2S/c1-7(11)4-10-5-9(12)8-2-3-13-6-8/h2-3,6-7,9-12H,4-5H2,1H3/t7-,9?/m0/s1
InChIKeyGYNGTTWHVOWZKK-JAVCKPHESA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 114188533
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol (CID 106435263) is (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol is C[C@H](O)CNCC(O)c1ccsc1.
What is the InChIKey of (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The InChIKey is GYNGTTWHVOWZKK-JAVCKPHESA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(11)4-10-5-9(12)8-2-3-13-6-8/h2-3,6-7,9-12H,4-5H2,1H3/t7-,9?/m0/s1.
What are the key properties of (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 106435263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).