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

C12H17NO2S — CID 2823324

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CCC1
InChIInChI=1S/C12H17NO2S/c14-12(10-3-1-4-10)13-6-8-16-9-11-5-2-7-15-11/h2,5,7,10H,1,3-4,6,8-9H2,(H,13,14)
InChIKeyIOIDSZXAMCZODM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.43
Rot. Bonds6

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide (PubChem CID 2823324) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide
PubChem CID2823324
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CCC1
InChIInChI=1S/C12H17NO2S/c14-12(10-3-1-4-10)13-6-8-16-9-11-5-2-7-15-11/h2,5,7,10H,1,3-4,6,8-9H2,(H,13,14)
InChIKeyIOIDSZXAMCZODM-UHFFFAOYSA-N
XLogP2.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.43
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]cyclobutanecarboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide (CID 2823324) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide is O=C(NCCSCc1ccco1)C1CCC1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide?
The InChIKey is IOIDSZXAMCZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(10-3-1-4-10)13-6-8-16-9-11-5-2-7-15-11/h2,5,7,10H,1,3-4,6,8-9H2,(H,13,14).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.43, 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]cyclobutanecarboxamide is sourced from PubChem (CID 2823324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).