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

C14H20N2OS — CID 86781543

IUPAC3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1cccn1C
InChIInChI=1S/C14H20N2OS/c1-11(9-13(17)14-6-4-8-18-14)15-10-12-5-3-7-16(12)2/h3-8,11,13,15,17H,9-10H2,1-2H3
InChIKeyCOLHJIRLWAMTOI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds6

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

3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (PubChem CID 86781543) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
PubChem CID86781543
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1cccn1C
InChIInChI=1S/C14H20N2OS/c1-11(9-13(17)14-6-4-8-18-14)15-10-12-5-3-7-16(12)2/h3-8,11,13,15,17H,9-10H2,1-2H3
InChIKeyCOLHJIRLWAMTOI-UHFFFAOYSA-N
XLogP2.69
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (CID 86781543) is 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is CC(CC(O)c1cccs1)NCc1cccn1C.
What is the InChIKey of 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The InChIKey is COLHJIRLWAMTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(9-13(17)14-6-4-8-18-14)15-10-12-5-3-7-16(12)2/h3-8,11,13,15,17H,9-10H2,1-2H3.
What are the key properties of 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 86781543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).