1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine

C12H21NOS — CID 107748424

IUPAC1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine
SMILESCCCCCSC(c1ccco1)C(C)N
InChIInChI=1S/C12H21NOS/c1-3-4-5-9-15-12(10(2)13)11-7-6-8-14-11/h6-8,10,12H,3-5,9,13H2,1-2H3
InChIKeyIBIUIAPHCPPHGI-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.59
Rot. Bonds7

About 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine

1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine (PubChem CID 107748424) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine
PubChem CID107748424
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine
SMILESCCCCCSC(c1ccco1)C(C)N
InChIInChI=1S/C12H21NOS/c1-3-4-5-9-15-12(10(2)13)11-7-6-8-14-11/h6-8,10,12H,3-5,9,13H2,1-2H3
InChIKeyIBIUIAPHCPPHGI-UHFFFAOYSA-N
XLogP3.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-2-pentylsulfanylethanamine
CID 107748598
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
2-nonan-2-ylfuran
CID 160791396
1-(furan-2-yl)decan-1-ol
CID 11085452
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
methyl 2-[1-[[2-amino-1-(furan-2-yl)propyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777389
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
3-[2-amino-1-(furan-2-yl)propyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884246

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine (CID 107748424) is 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine is CCCCCSC(c1ccco1)C(C)N.
What is the InChIKey of 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine?
The InChIKey is IBIUIAPHCPPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-4-5-9-15-12(10(2)13)11-7-6-8-14-11/h6-8,10,12H,3-5,9,13H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine?
1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine is sourced from PubChem (CID 107748424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).