1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

C11H18N2OS — CID 106444731

IUPAC1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccoc1)C1CSCCN1C
InChIInChI=1S/C11H18N2OS/c1-12-11(9-3-5-14-7-9)10-8-15-6-4-13(10)2/h3,5,7,10-12H,4,6,8H2,1-2H3
InChIKeyRUNJKCGQJPZLRR-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.59
Rot. Bonds3

About 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444731) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444731
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccoc1)C1CSCCN1C
InChIInChI=1S/C11H18N2OS/c1-12-11(9-3-5-14-7-9)10-8-15-6-4-13(10)2/h3,5,7,10-12H,4,6,8H2,1-2H3
InChIKeyRUNJKCGQJPZLRR-UHFFFAOYSA-N
XLogP1.59
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444780
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444894
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 103346029
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
[(4-methylthiomorpholin-3-yl)-(4-propylphenyl)methyl]hydrazine
CID 106446359
3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
CID 106446429
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[1,4-dithian-2-yl(furan-3-yl)methyl]propan-1-amine
CID 79965561

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (CID 106444731) is 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is CNC(c1ccoc1)C1CSCCN1C.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is RUNJKCGQJPZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-11(9-3-5-14-7-9)10-8-15-6-4-13(10)2/h3,5,7,10-12H,4,6,8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).