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

C9H15NO3S — CID 115654111

IUPAC[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
SMILESCS(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C9H15NO3S/c1-14(12)5-4-10-6-8-2-3-9(7-11)13-8/h2-3,10-11H,4-7H2,1H3
InChIKeyUMHLLROXZLVDFT-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.24
Rot. Bonds6

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

[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol (PubChem CID 115654111) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
PubChem CID115654111
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
SMILESCS(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C9H15NO3S/c1-14(12)5-4-10-6-8-2-3-9(7-11)13-8/h2-3,10-11H,4-7H2,1H3
InChIKeyUMHLLROXZLVDFT-UHFFFAOYSA-N
XLogP0.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.24
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-[(3-methylsulfinylpropylamino)methyl]furan-2-carboxylate
CID 115907598
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
CID 64580129
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
CID 100614726
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol (CID 115654111) is [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol is CS(=O)CCNCc1ccc(CO)o1.
What is the InChIKey of [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol?
The InChIKey is UMHLLROXZLVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12)5-4-10-6-8-2-3-9(7-11)13-8/h2-3,10-11H,4-7H2,1H3.
What are the key properties of [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol?
[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol has a molecular weight of 217.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 115654111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).