2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol

C10H15NO2S — CID 116874546

IUPAC2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
SMILESCc1ccsc1C1(C(O)CN)COC1
InChIInChI=1S/C10H15NO2S/c1-7-2-3-14-9(7)10(5-13-6-10)8(12)4-11/h2-3,8,12H,4-6,11H2,1H3
InChIKeyWKYIKKMPMZMYPG-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol

2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol (PubChem CID 116874546) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
PubChem CID116874546
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
SMILESCc1ccsc1C1(C(O)CN)COC1
InChIInChI=1S/C10H15NO2S/c1-7-2-3-14-9(7)10(5-13-6-10)8(12)4-11/h2-3,8,12H,4-6,11H2,1H3
InChIKeyWKYIKKMPMZMYPG-UHFFFAOYSA-N
XLogP0.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
CID 116874495
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869900
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
CID 116872428
2-amino-1-(3-naphthalen-2-yloxetan-3-yl)ethanol
CID 116874541
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116875001
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 83823387
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
CID 116871239
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol (CID 116874546) is 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol is Cc1ccsc1C1(C(O)CN)COC1.
What is the InChIKey of 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The InChIKey is WKYIKKMPMZMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-2-3-14-9(7)10(5-13-6-10)8(12)4-11/h2-3,8,12H,4-6,11H2,1H3.
What are the key properties of 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol?
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol has a molecular weight of 213.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol is sourced from PubChem (CID 116874546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).