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

C11H18N2OS — CID 62418650

IUPACN-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCSCC2)o1
InChIInChI=1S/C11H18N2OS/c1-12-8-10-2-3-11(14-10)9-13-4-6-15-7-5-13/h2-3,12H,4-9H2,1H3
InChIKeyMNCGDYJYQVOYRK-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.55
Rot. Bonds4

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

N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (PubChem CID 62418650) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
PubChem CID62418650
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCSCC2)o1
InChIInChI=1S/C11H18N2OS/c1-12-8-10-2-3-11(14-10)9-13-4-6-15-7-5-13/h2-3,12H,4-9H2,1H3
InChIKeyMNCGDYJYQVOYRK-UHFFFAOYSA-N
XLogP1.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62411694
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62969152
N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine
CID 62890274
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103527237
1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 65324762
1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
CID 107454021
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (CID 62418650) is N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is CNCc1ccc(CN2CCSCC2)o1.
What is the InChIKey of N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The InChIKey is MNCGDYJYQVOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-8-10-2-3-11(14-10)9-13-4-6-15-7-5-13/h2-3,12H,4-9H2,1H3.
What are the key properties of N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.55, 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-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62418650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).