1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine

C11H17NOS — CID 116869900

IUPAC1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
SMILESCc1ccsc1C1(CC(C)N)COC1
InChIInChI=1S/C11H17NOS/c1-8-3-4-14-10(8)11(5-9(2)12)6-13-7-11/h3-4,9H,5-7,12H2,1-2H3
InChIKeyVRSHZPYSSRBWPC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.06
Rot. Bonds3

About 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine

1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869900) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869900
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
SMILESCc1ccsc1C1(CC(C)N)COC1
InChIInChI=1S/C11H17NOS/c1-8-3-4-14-10(8)11(5-9(2)12)6-13-7-11/h3-4,9H,5-7,12H2,1-2H3
InChIKeyVRSHZPYSSRBWPC-UHFFFAOYSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871111
1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869892
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
CID 116872428
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
CID 116871239
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116875001
4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
CID 116870342
2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
CID 116870952
2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
CID 131010716

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine (CID 116869900) is 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine is Cc1ccsc1C1(CC(C)N)COC1.
What is the InChIKey of 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is VRSHZPYSSRBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-3-4-14-10(8)11(5-9(2)12)6-13-7-11/h3-4,9H,5-7,12H2,1-2H3.
What are the key properties of 1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine?
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 211.33 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]propan-2-amine is sourced from PubChem (CID 116869900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).