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

C9H15NO2S — CID 60908559

IUPAC3-(1-thiophen-2-ylethylamino)propane-1,2-diol
SMILESCC(NCC(O)CO)c1cccs1
InChIInChI=1S/C9H15NO2S/c1-7(9-3-2-4-13-9)10-5-8(12)6-11/h2-4,7-8,10-12H,5-6H2,1H3
InChIKeySRYPZWXNJTWOMD-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.75
Rot. Bonds5

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

3-(1-thiophen-2-ylethylamino)propane-1,2-diol (PubChem CID 60908559) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-thiophen-2-ylethylamino)propane-1,2-diol
PubChem CID60908559
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(1-thiophen-2-ylethylamino)propane-1,2-diol
SMILESCC(NCC(O)CO)c1cccs1
InChIInChI=1S/C9H15NO2S/c1-7(9-3-2-4-13-9)10-5-8(12)6-11/h2-4,7-8,10-12H,5-6H2,1H3
InChIKeySRYPZWXNJTWOMD-UHFFFAOYSA-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

(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959135
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylethylamino)propane-1,2-diol?
The IUPAC name of 3-(1-thiophen-2-ylethylamino)propane-1,2-diol (CID 60908559) is 3-(1-thiophen-2-ylethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-thiophen-2-ylethylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-thiophen-2-ylethylamino)propane-1,2-diol is CC(NCC(O)CO)c1cccs1.
What is the InChIKey of 3-(1-thiophen-2-ylethylamino)propane-1,2-diol?
The InChIKey is SRYPZWXNJTWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(9-3-2-4-13-9)10-5-8(12)6-11/h2-4,7-8,10-12H,5-6H2,1H3.
What are the key properties of 3-(1-thiophen-2-ylethylamino)propane-1,2-diol?
3-(1-thiophen-2-ylethylamino)propane-1,2-diol 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 3-(1-thiophen-2-ylethylamino)propane-1,2-diol is sourced from PubChem (CID 60908559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).