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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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).