cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C15H16N2O2S — CID 71465637

IUPACcyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CC1
InChIInChI=1S/C15H16N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-8,10H,3-4,9,16H2,(H,17,18)
InChIKeyOPWTVTBUZVZKAV-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.96
Rot. Bonds4

About cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465637) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465637
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Namecyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CC1
InChIInChI=1S/C15H16N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-8,10H,3-4,9,16H2,(H,17,18)
InChIKeyOPWTVTBUZVZKAV-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465637) is cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is OPWTVTBUZVZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-8,10H,3-4,9,16H2,(H,17,18).
What are the key properties of cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 288.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).