N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine

C12H20N2OS — CID 62419048

IUPACN-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCNCc1cc(CN2CCSCC2)c(C)o1
InChIInChI=1S/C12H20N2OS/c1-10-11(7-12(15-10)8-13-2)9-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3
InChIKeyFXXUSVDXLFIAFE-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (PubChem CID 62419048) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
PubChem CID62419048
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCNCc1cc(CN2CCSCC2)c(C)o1
InChIInChI=1S/C12H20N2OS/c1-10-11(7-12(15-10)8-13-2)9-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3
InChIKeyFXXUSVDXLFIAFE-UHFFFAOYSA-N
XLogP1.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419449
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62418650
N-methyl-1-[5-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62425837
1-[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55215650
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine
CID 114490715
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (CID 62419048) is N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is CNCc1cc(CN2CCSCC2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The InChIKey is FXXUSVDXLFIAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-11(7-12(15-10)8-13-2)9-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62419048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).