[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol

C10H14BrNO2S — CID 115381508

IUPAC[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
SMILESNCC1(C(O)c2sccc2Br)CCOC1
InChIInChI=1S/C10H14BrNO2S/c11-7-1-4-15-8(7)9(13)10(5-12)2-3-14-6-10/h1,4,9,13H,2-3,5-6,12H2
InChIKeyOTZAFBMLVYNUQF-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.91
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol

[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol (PubChem CID 115381508) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
PubChem CID115381508
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
SMILESNCC1(C(O)c2sccc2Br)CCOC1
InChIInChI=1S/C10H14BrNO2S/c11-7-1-4-15-8(7)9(13)10(5-12)2-3-14-6-10/h1,4,9,13H,2-3,5-6,12H2
InChIKeyOTZAFBMLVYNUQF-UHFFFAOYSA-N
XLogP1.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol (CID 115381508) is [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol is NCC1(C(O)c2sccc2Br)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol?
The InChIKey is OTZAFBMLVYNUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-7-1-4-15-8(7)9(13)10(5-12)2-3-14-6-10/h1,4,9,13H,2-3,5-6,12H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol has a molecular weight of 292.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol is sourced from PubChem (CID 115381508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).