N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide

C11H15NO2S — CID 2823367

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(9-3-4-9)12-5-7-15-8-10-2-1-6-14-10/h1-2,6,9H,3-5,7-8H2,(H,12,13)
InChIKeyFLKABEJVCYDZSS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide (PubChem CID 2823367) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide
PubChem CID2823367
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(9-3-4-9)12-5-7-15-8-10-2-1-6-14-10/h1-2,6,9H,3-5,7-8H2,(H,12,13)
InChIKeyFLKABEJVCYDZSS-UHFFFAOYSA-N
XLogP2.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide (CID 2823367) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide is O=C(NCCSCc1ccco1)C1CC1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide?
The InChIKey is FLKABEJVCYDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(9-3-4-9)12-5-7-15-8-10-2-1-6-14-10/h1-2,6,9H,3-5,7-8H2,(H,12,13).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide has a molecular weight of 225.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 2823367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).