N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine

C11H19NO2S — CID 107782588

IUPACN-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCOCCNCCCSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-10-11(4-7-14-10)15-9-3-5-12-6-8-13-2/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyMJAJXGUFGRZQQB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.31
Rot. Bonds8

About N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine

N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine (PubChem CID 107782588) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
PubChem CID107782588
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
SMILESCOCCNCCCSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-10-11(4-7-14-10)15-9-3-5-12-6-8-13-2/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyMJAJXGUFGRZQQB-UHFFFAOYSA-N
XLogP2.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
methyl 2-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)hexanoate
CID 107782098
N-[[5-chloro-2-(2-methylfuran-3-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 107783189
N-(2-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 62584866
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597
6-(2-methylfuran-3-yl)sulfanylhexan-3-one
CID 104922699
methyl 2-(ethylamino)-2-methyl-5-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782200
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine (CID 107782588) is N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine is COCCNCCCSc1ccoc1C.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
The InChIKey is MJAJXGUFGRZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10-11(4-7-14-10)15-9-3-5-12-6-8-13-2/h4,7,12H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine?
N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 107782588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).