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

C10H17NO3S — CID 106435290

IUPAC1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S/c1-14-6-9(12)4-11-5-10(13)8-2-3-15-7-8/h2-3,7,9-13H,4-6H2,1H3
InChIKeyDCYNWUMXIDPUPU-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.38
Rot. Bonds7

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

1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol (PubChem CID 106435290) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
PubChem CID106435290
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S/c1-14-6-9(12)4-11-5-10(13)8-2-3-15-7-8/h2-3,7,9-13H,4-6H2,1H3
InChIKeyDCYNWUMXIDPUPU-UHFFFAOYSA-N
XLogP0.38
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435077
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol (CID 106435290) is 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol is COCC(O)CNCC(O)c1ccsc1.
What is the InChIKey of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol?
The InChIKey is DCYNWUMXIDPUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-14-6-9(12)4-11-5-10(13)8-2-3-15-7-8/h2-3,7,9-13H,4-6H2,1H3.
What are the key properties of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol?
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol has a molecular weight of 231.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 106435290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).