2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol

C11H14N2OS — CID 103578658

IUPAC2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc[nH]1)c1ccsc1
InChIInChI=1S/C11H14N2OS/c14-11(9-3-5-15-8-9)7-12-6-10-2-1-4-13-10/h1-5,8,11-14H,6-7H2
InChIKeyISRZISSASQQNBW-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.90
Rot. Bonds5

About 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol

2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol (PubChem CID 103578658) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
PubChem CID103578658
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc[nH]1)c1ccsc1
InChIInChI=1S/C11H14N2OS/c14-11(9-3-5-15-8-9)7-12-6-10-2-1-4-13-10/h1-5,8,11-14H,6-7H2
InChIKeyISRZISSASQQNBW-UHFFFAOYSA-N
XLogP1.90
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
CID 45098136
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685198

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol (CID 103578658) is 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol is OC(CNCc1ccc[nH]1)c1ccsc1.
What is the InChIKey of 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol?
The InChIKey is ISRZISSASQQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(9-3-5-15-8-9)7-12-6-10-2-1-4-13-10/h1-5,8,11-14H,6-7H2.
What are the key properties of 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol?
2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol has a molecular weight of 222.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 103578658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).