1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine

C10H17NOS — CID 65128503

IUPAC1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccoc1
InChIInChI=1S/C10H17NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h4-5,7,10-11H,3,6,8H2,1-2H3
InChIKeyUGLUKLASAXLICL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.68
Rot. Bonds6

About 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine

1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine (PubChem CID 65128503) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
PubChem CID65128503
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccoc1
InChIInChI=1S/C10H17NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h4-5,7,10-11H,3,6,8H2,1-2H3
InChIKeyUGLUKLASAXLICL-UHFFFAOYSA-N
XLogP2.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine
CID 63949401
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
1-(1,3-benzodioxol-5-yl)-N-methyl-2-propylsulfanylethanamine
CID 64615340
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
N-methyl-2-pentylsulfanyl-1-phenylethanamine
CID 107762924
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
1-(2,6-difluorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129194
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-propylsulfanylethanamine
CID 107288956
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
CID 105146707

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine (CID 65128503) is 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine is CCCSCC(NC)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine?
The InChIKey is UGLUKLASAXLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-6-13-8-10(11-2)9-4-5-12-7-9/h4-5,7,10-11H,3,6,8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine?
1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine is sourced from PubChem (CID 65128503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).