(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol

C9H15NO2S — CID 61474151

IUPAC(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCc1ccsc1
InChIInChI=1S/C9H15NO2S/c11-6-9(12)5-10-3-1-8-2-4-13-7-8/h2,4,7,9-12H,1,3,5-6H2/t9-/m0/s1
InChIKeyMLTBSAGBWTUXPY-VIFPVBQESA-N
MW201.29 g/mol
LogP0.23
Rot. Bonds6

About (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol

(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol (PubChem CID 61474151) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
PubChem CID61474151
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCc1ccsc1
InChIInChI=1S/C9H15NO2S/c11-6-9(12)5-10-3-1-8-2-4-13-7-8/h2,4,7,9-12H,1,3,5-6H2/t9-/m0/s1
InChIKeyMLTBSAGBWTUXPY-VIFPVBQESA-N
XLogP0.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
3-[2-(4-ethylphenyl)ethylamino]propane-1,2-diol
CID 115122267
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
4-[2-(2,3-dihydroxypropylamino)ethyl]benzene-1,2-diol
CID 70596996
1-(2,4-dimethylphenoxy)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473977
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
CID 64561326
2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
CID 107852268
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
3-[2-(3,4,5-trimethoxyphenyl)ethylamino]propane-1,2-diol
CID 70584984

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol (CID 61474151) is (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol is OC[C@@H](O)CNCCc1ccsc1.
What is the InChIKey of (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol?
The InChIKey is MLTBSAGBWTUXPY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO2S/c11-6-9(12)5-10-3-1-8-2-4-13-7-8/h2,4,7,9-12H,1,3,5-6H2/t9-/m0/s1.
What are the key properties of (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol?
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol has a molecular weight of 201.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol is sourced from PubChem (CID 61474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).