1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

C13H18N2OS — CID 111449467

IUPAC1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCn1cccc1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C13H18N2OS/c1-13(16,11-5-7-17-9-11)10-14-8-12-4-3-6-15(12)2/h3-7,9,14,16H,8,10H2,1-2H3
InChIKeyQFHJDFAOKNUEOY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds5

About 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111449467) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111449467
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCn1cccc1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C13H18N2OS/c1-13(16,11-5-7-17-9-11)10-14-8-12-4-3-6-15(12)2/h3-7,9,14,16H,8,10H2,1-2H3
InChIKeyQFHJDFAOKNUEOY-UHFFFAOYSA-N
XLogP2.08
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111862118
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449551
1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449453
2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 104857754
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449506
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111449467) is 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is Cn1cccc1CNCC(C)(O)c1ccsc1.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is QFHJDFAOKNUEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(16,11-5-7-17-9-11)10-14-8-12-4-3-6-15(12)2/h3-7,9,14,16H,8,10H2,1-2H3.
What are the key properties of 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 250.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111449467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).