3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine

C9H13NOS — CID 135292661

IUPAC3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine
SMILESCc1sccc1NC1(C)COC1
InChIInChI=1S/C9H13NOS/c1-7-8(3-4-12-7)10-9(2)5-11-6-9/h3-4,10H,5-6H2,1-2H3
InChIKeyUQLFJBWSPWTCCL-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.26
Rot. Bonds2

About 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine

3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine (PubChem CID 135292661) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine
PubChem CID135292661
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine
SMILESCc1sccc1NC1(C)COC1
InChIInChI=1S/C9H13NOS/c1-7-8(3-4-12-7)10-9(2)5-11-6-9/h3-4,10H,5-6H2,1-2H3
InChIKeyUQLFJBWSPWTCCL-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine?
The IUPAC name of 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine (CID 135292661) is 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine is Cc1sccc1NC1(C)COC1.
What is the InChIKey of 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine?
The InChIKey is UQLFJBWSPWTCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-8(3-4-12-7)10-9(2)5-11-6-9/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine?
3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine has a molecular weight of 183.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylthiophen-3-yl)oxetan-3-amine is sourced from PubChem (CID 135292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).