oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C15H16N2O3S — CID 71465636

IUPACoxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1COC1
InChIInChI=1S/C15H16N2O3S/c16-12-4-3-11(14-2-1-5-21-14)6-13(12)17-15(18)20-9-10-7-19-8-10/h1-6,10H,7-9,16H2,(H,17,18)
InChIKeyQNNIRKKWAIUNTQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.19
Rot. Bonds4

About oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465636) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Nameoxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465636
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameoxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1COC1
InChIInChI=1S/C15H16N2O3S/c16-12-4-3-11(14-2-1-5-21-14)6-13(12)17-15(18)20-9-10-7-19-8-10/h1-6,10H,7-9,16H2,(H,17,18)
InChIKeyQNNIRKKWAIUNTQ-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465636) is oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCC1COC1.
What is the InChIKey of oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is QNNIRKKWAIUNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-12-4-3-11(14-2-1-5-21-14)6-13(12)17-15(18)20-9-10-7-19-8-10/h1-6,10H,7-9,16H2,(H,17,18).
What are the key properties of oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 304.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).