[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol

C8H13NO2S — CID 14234538

IUPAC[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol
SMILESNCCSCc1ccc(CO)o1
InChIInChI=1S/C8H13NO2S/c9-3-4-12-6-8-2-1-7(5-10)11-8/h1-2,10H,3-6,9H2
InChIKeySEJFTTVTZJIVSM-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.96
Rot. Bonds5

About [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol

[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol (PubChem CID 14234538) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol
PubChem CID14234538
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol
SMILESNCCSCc1ccc(CO)o1
InChIInChI=1S/C8H13NO2S/c9-3-4-12-6-8-2-1-7(5-10)11-8/h1-2,10H,3-6,9H2
InChIKeySEJFTTVTZJIVSM-UHFFFAOYSA-N
XLogP0.96
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-methylhydroxylamine;dihydrochloride
CID 131712297
N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine
CID 54401873
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol
CID 71398135
(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine
CID 70536138
[5-[2-[(1-methylsulfanyl-2-nitroethenyl)amino]ethylsulfanylmethyl]furan-2-yl]methanol
CID 70401206
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide
CID 20570910
2-(2-bromoethylsulfanylmethyl)-5-ethylfuran
CID 165483369
[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 115654436
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
CID 66220072
furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol?
The IUPAC name of [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol (CID 14234538) is [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol is NCCSCc1ccc(CO)o1.
What is the InChIKey of [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol?
The InChIKey is SEJFTTVTZJIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c9-3-4-12-6-8-2-1-7(5-10)11-8/h1-2,10H,3-6,9H2.
What are the key properties of [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol?
[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol has a molecular weight of 187.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethylsulfanylmethyl)furan-2-yl]methanol is sourced from PubChem (CID 14234538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).