4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine

C12H19NOS — CID 71778043

IUPAC4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
SMILESc1coc(CSCCC2CCNCC2)c1
InChIInChI=1S/C12H19NOS/c1-2-12(14-8-1)10-15-9-5-11-3-6-13-7-4-11/h1-2,8,11,13H,3-7,9-10H2
InChIKeyCPWABSLSHRIONZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.90
Rot. Bonds5

About 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine

4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine (PubChem CID 71778043) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
PubChem CID71778043
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
SMILESc1coc(CSCCC2CCNCC2)c1
InChIInChI=1S/C12H19NOS/c1-2-12(14-8-1)10-15-9-5-11-3-6-13-7-4-11/h1-2,8,11,13H,3-7,9-10H2
InChIKeyCPWABSLSHRIONZ-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.90
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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Related Compounds

4-(furan-2-ylmethyl)piperidine
CID 83480581
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
CID 64821265
4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
CID 81041028
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine?
The IUPAC name of 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine (CID 71778043) is 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine is c1coc(CSCCC2CCNCC2)c1.
What is the InChIKey of 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine?
The InChIKey is CPWABSLSHRIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-12(14-8-1)10-15-9-5-11-3-6-13-7-4-11/h1-2,8,11,13H,3-7,9-10H2.
What are the key properties of 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine?
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine has a molecular weight of 225.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 71778043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).