N-(4-methylsulfanylphenyl)oxetan-3-amine

C10H13NOS — CID 63623834

IUPACN-(4-methylsulfanylphenyl)oxetan-3-amine
SMILESCSc1ccc(NC2COC2)cc1
InChIInChI=1S/C10H13NOS/c1-13-10-4-2-8(3-5-10)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyGBVFQAMCKGWLQT-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.22
Rot. Bonds3

About N-(4-methylsulfanylphenyl)oxetan-3-amine

N-(4-methylsulfanylphenyl)oxetan-3-amine (PubChem CID 63623834) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)oxetan-3-amine
PubChem CID63623834
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(4-methylsulfanylphenyl)oxetan-3-amine
SMILESCSc1ccc(NC2COC2)cc1
InChIInChI=1S/C10H13NOS/c1-13-10-4-2-8(3-5-10)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyGBVFQAMCKGWLQT-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)oxetan-3-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)oxetan-3-amine (CID 63623834) is N-(4-methylsulfanylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)oxetan-3-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)oxetan-3-amine is CSc1ccc(NC2COC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)oxetan-3-amine?
The InChIKey is GBVFQAMCKGWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-13-10-4-2-8(3-5-10)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3.
What are the key properties of N-(4-methylsulfanylphenyl)oxetan-3-amine?
N-(4-methylsulfanylphenyl)oxetan-3-amine has a molecular weight of 195.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)oxetan-3-amine is sourced from PubChem (CID 63623834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).