[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine

C12H17NOS — CID 116874842

IUPAC[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCc1ccsc1C1(C2(CN)CC2)COC1
InChIInChI=1S/C12H17NOS/c1-9-2-5-15-10(9)12(7-14-8-12)11(6-13)3-4-11/h2,5H,3-4,6-8,13H2,1H3
InChIKeyQNBHUOSMZUEAMF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.06
Rot. Bonds3

About [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine

[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine (PubChem CID 116874842) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
PubChem CID116874842
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCc1ccsc1C1(C2(CN)CC2)COC1
InChIInChI=1S/C12H17NOS/c1-9-2-5-15-10(9)12(7-14-8-12)11(6-13)3-4-11/h2,5H,3-4,6-8,13H2,1H3
InChIKeyQNBHUOSMZUEAMF-UHFFFAOYSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116875001
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869900
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
CID 116872428
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871111
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
CID 116871239
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine (CID 116874842) is [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine is Cc1ccsc1C1(C2(CN)CC2)COC1.
What is the InChIKey of [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine?
The InChIKey is QNBHUOSMZUEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-2-5-15-10(9)12(7-14-8-12)11(6-13)3-4-11/h2,5H,3-4,6-8,13H2,1H3.
What are the key properties of [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine?
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116874842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).