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

C15H14N2O2S — CID 175831101

IUPACcyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OC=C1CC1
InChIInChI=1S/C15H14N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-9H,3-4,16H2,(H,17,18)
InChIKeyFSGAHOHNDDCOEY-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.22
Rot. Bonds3

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

cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 175831101) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID175831101
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namecyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OC=C1CC1
InChIInChI=1S/C15H14N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-9H,3-4,16H2,(H,17,18)
InChIKeyFSGAHOHNDDCOEY-UHFFFAOYSA-N
XLogP4.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 175831101) is cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OC=C1CC1.
What is the InChIKey of cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is FSGAHOHNDDCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-12-6-5-11(14-2-1-7-20-14)8-13(12)17-15(18)19-9-10-3-4-10/h1-2,5-9H,3-4,16H2,(H,17,18).
What are the key properties of cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 286.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 175831101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).