3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol

C8H13NO2S — CID 171857359

IUPAC3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
SMILESCNCC(O)C(O)c1ccsc1
InChIInChI=1S/C8H13NO2S/c1-9-4-7(10)8(11)6-2-3-12-5-6/h2-3,5,7-11H,4H2,1H3
InChIKeyZASGVYDDGBUUJT-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.36
Rot. Bonds4

About 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol

3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol (PubChem CID 171857359) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
PubChem CID171857359
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
SMILESCNCC(O)C(O)c1ccsc1
InChIInChI=1S/C8H13NO2S/c1-9-4-7(10)8(11)6-2-3-12-5-6/h2-3,5,7-11H,4H2,1H3
InChIKeyZASGVYDDGBUUJT-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857583
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol (CID 171857359) is 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol is CNCC(O)C(O)c1ccsc1.
What is the InChIKey of 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol?
The InChIKey is ZASGVYDDGBUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-9-4-7(10)8(11)6-2-3-12-5-6/h2-3,5,7-11H,4H2,1H3.
What are the key properties of 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol?
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol has a molecular weight of 187.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol is sourced from PubChem (CID 171857359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).