[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol

C11H15NO2S — CID 115654436

IUPAC[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
SMILESC#CCSCCNCc1ccc(CO)o1
InChIInChI=1S/C11H15NO2S/c1-2-6-15-7-5-12-8-10-3-4-11(9-13)14-10/h1,3-4,12-13H,5-9H2
InChIKeyNEBYDTJTRQSPQH-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.23
Rot. Bonds7

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

[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol (PubChem CID 115654436) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
PubChem CID115654436
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
SMILESC#CCSCCNCc1ccc(CO)o1
InChIInChI=1S/C11H15NO2S/c1-2-6-15-7-5-12-8-10-3-4-11(9-13)14-10/h1,3-4,12-13H,5-9H2
InChIKeyNEBYDTJTRQSPQH-UHFFFAOYSA-N
XLogP1.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
[5-[(2-phenylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 64592561
4-[(2-prop-2-ynylsulfanylethylamino)methyl]phenol
CID 102809707
N-[(2-chlorophenyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642950
5-[(2-prop-2-ynylsulfanylethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106430011
3-[(2-prop-2-ynylsulfanylethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106429965
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
5-[(2-prop-2-ynylsulfanylethylamino)methyl]thiophene-2-carbonitrile
CID 115675923
N-[(4-methylsulfanylphenyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642878
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
N-[(2,3-dichlorophenyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642880

Frequently Asked Questions

What is the IUPAC name of [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol (CID 115654436) is [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol is C#CCSCCNCc1ccc(CO)o1.
What is the InChIKey of [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol?
The InChIKey is NEBYDTJTRQSPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-6-15-7-5-12-8-10-3-4-11(9-13)14-10/h1,3-4,12-13H,5-9H2.
What are the key properties of [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol?
[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol has a molecular weight of 225.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 115654436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).