2-(furan-2-yl)-2-pentylsulfanylethanamine

C11H19NOS — CID 107748598

IUPAC2-(furan-2-yl)-2-pentylsulfanylethanamine
SMILESCCCCCSC(CN)c1ccco1
InChIInChI=1S/C11H19NOS/c1-2-3-4-8-14-11(9-12)10-6-5-7-13-10/h5-7,11H,2-4,8-9,12H2,1H3
InChIKeyQHBBRWAQXWRHSC-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.20
Rot. Bonds7

About 2-(furan-2-yl)-2-pentylsulfanylethanamine

2-(furan-2-yl)-2-pentylsulfanylethanamine (PubChem CID 107748598) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-pentylsulfanylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-pentylsulfanylethanamine
PubChem CID107748598
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(furan-2-yl)-2-pentylsulfanylethanamine
SMILESCCCCCSC(CN)c1ccco1
InChIInChI=1S/C11H19NOS/c1-2-3-4-8-14-11(9-12)10-6-5-7-13-10/h5-7,11H,2-4,8-9,12H2,1H3
InChIKeyQHBBRWAQXWRHSC-UHFFFAOYSA-N
XLogP3.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.20
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

1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine
CID 107748424
3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105967
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
CID 102567549
1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
3-[2-amino-1-(furan-2-yl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898087
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 62269086
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-pentylsulfanylethanamine?
The IUPAC name of 2-(furan-2-yl)-2-pentylsulfanylethanamine (CID 107748598) is 2-(furan-2-yl)-2-pentylsulfanylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-pentylsulfanylethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-pentylsulfanylethanamine is CCCCCSC(CN)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-pentylsulfanylethanamine?
The InChIKey is QHBBRWAQXWRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-3-4-8-14-11(9-12)10-6-5-7-13-10/h5-7,11H,2-4,8-9,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-pentylsulfanylethanamine?
2-(furan-2-yl)-2-pentylsulfanylethanamine has a molecular weight of 213.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-pentylsulfanylethanamine is sourced from PubChem (CID 107748598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).