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

C14H21NO2S — CID 2823325

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,15,16)
InChIKeyPRANCRXXZYIUEB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.21
Rot. Bonds6

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide (PubChem CID 2823325) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide
PubChem CID2823325
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCSCc1ccco1)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,15,16)
InChIKeyPRANCRXXZYIUEB-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.21
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]cyclohexanecarboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide (CID 2823325) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide is O=C(NCCSCc1ccco1)C1CCCCC1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide?
The InChIKey is PRANCRXXZYIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,15,16).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclohexanecarboxamide has a molecular weight of 267.39 g/mol, XLogP of 3.21, 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]cyclohexanecarboxamide is sourced from PubChem (CID 2823325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).