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

C8H13NOS — CID 63949401

IUPAC1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1ccoc1
InChIInChI=1S/C8H13NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h3-5,8-9H,6H2,1-2H3
InChIKeyKQGWLJVGUQXXPP-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.90
Rot. Bonds4

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

1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 63949401) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine
PubChem CID63949401
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1ccoc1
InChIInChI=1S/C8H13NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h3-5,8-9H,6H2,1-2H3
InChIKeyKQGWLJVGUQXXPP-UHFFFAOYSA-N
XLogP1.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
CID 65128503
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
CID 105146707
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
[2-butan-2-ylsulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105227274
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine (CID 63949401) is 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is KQGWLJVGUQXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine?
1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 171.26 g/mol, XLogP of 1.90, 4 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-methylsulfanylethanamine is sourced from PubChem (CID 63949401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).