[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol

C14H17NO2S — CID 64592561

IUPAC[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCSc2ccccc2)o1
InChIInChI=1S/C14H17NO2S/c16-11-13-7-6-12(17-13)10-15-8-9-18-14-4-2-1-3-5-14/h1-7,15-16H,8-11H2
InChIKeyGQILABJVSLPLPX-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.65
Rot. Bonds7

About [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol

[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol (PubChem CID 64592561) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
PubChem CID64592561
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCSc2ccccc2)o1
InChIInChI=1S/C14H17NO2S/c16-11-13-7-6-12(17-13)10-15-8-9-18-14-4-2-1-3-5-14/h1-7,15-16H,8-11H2
InChIKeyGQILABJVSLPLPX-UHFFFAOYSA-N
XLogP2.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.65
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

methyl 5-[(2-phenylsulfanylethylamino)methyl]furan-2-carboxylate
CID 60661867
2-[2-[(2-phenylsulfanylethylamino)methyl]phenyl]acetic acid
CID 115461678
[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 115654436
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
2-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62698407
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 60664698
2-phenylsulfanyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437612
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
4-[(2-phenylsulfanylethylamino)methyl]benzene-1,3-diol
CID 54880997
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077

Frequently Asked Questions

What is the IUPAC name of [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol (CID 64592561) is [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCCSc2ccccc2)o1.
What is the InChIKey of [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol?
The InChIKey is GQILABJVSLPLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-11-13-7-6-12(17-13)10-15-8-9-18-14-4-2-1-3-5-14/h1-7,15-16H,8-11H2.
What are the key properties of [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol?
[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol has a molecular weight of 263.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64592561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).