2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol

C9H14BrNOS — CID 79602621

IUPAC2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)c1cscc1Br
InChIInChI=1S/C9H14BrNOS/c1-9(12,3-4-11-2)7-5-13-6-8(7)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyYEQFOSGPIYSFJK-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol

2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol (PubChem CID 79602621) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol
PubChem CID79602621
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)c1cscc1Br
InChIInChI=1S/C9H14BrNOS/c1-9(12,3-4-11-2)7-5-13-6-8(7)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyYEQFOSGPIYSFJK-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol (CID 79602621) is 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol is CNCCC(C)(O)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol?
The InChIKey is YEQFOSGPIYSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-9(12,3-4-11-2)7-5-13-6-8(7)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol?
2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol has a molecular weight of 264.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol is sourced from PubChem (CID 79602621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).